Publikationer
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2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications
Ingår i Materials Today Advances, 2022.
DOI för 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications Ladda ner fulltext (pdf) av 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications
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Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors
Ingår i ChemPlusChem, 2022.
DOI för Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors Ladda ner fulltext (pdf) av Activation-Induced Surface Modulation of Biowaste-Derived Hierarchical Porous Carbon for Supercapacitors
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Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO
Ingår i Journal of Power Sources, 2022.
DOI för Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO Ladda ner fulltext (pdf) av Amorphisation-induced electrochemical stability of solid-electrolytes in Li-metal batteries: The case of Li3ClO
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Analysis of molecular ligand functionalization process in nano-molecular electronic devices containing densely packed nano-particle functionalization shells
Ingår i Nanotechnology, 2022.
DOI för Analysis of molecular ligand functionalization process in nano-molecular electronic devices containing densely packed nano-particle functionalization shells Ladda ner fulltext (pdf) av Analysis of molecular ligand functionalization process in nano-molecular electronic devices containing densely packed nano-particle functionalization shells
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Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions
Ingår i Frontiers in Cardiovascular Medicine, 2022.
DOI för Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions Ladda ner fulltext (pdf) av Antibodies Against Phosphorylcholine Among 60-Year-Olds: Clinical Role and Simulated Interactions
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Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes
Ingår i Energy Storage Materials, s. 313-325, 2022.
DOI för Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes Ladda ner fulltext (pdf) av Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes
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Asymmetry-Induced Redistribution in Sn(IV)-Ti(IV) Hetero-Bimetallic Alkoxide Precursors and Its Impact on Thin-Film Deposition by Metal-Organic Chemical Vapor Deposition
Ingår i Crystal Growth & Design, s. 54-59, 2022.
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Aurora Borealis in dentistry: The applications of cold plasma in biomedicine
Ingår i MATERIALS TODAY BIO, 2022.
DOI för Aurora Borealis in dentistry: The applications of cold plasma in biomedicine Ladda ner fulltext (pdf) av Aurora Borealis in dentistry: The applications of cold plasma in biomedicine
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Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te)
Ingår i Materials Today Energy, 2022.
DOI för Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te) Ladda ner fulltext (pdf) av Bifunctional catalytic activity of 2D boron monochalcogenides BX (X = S, Se, Te)
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Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules
Ingår i Journal of Physical Chemistry Letters, s. 808-814, 2022.
DOI för Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules Ladda ner fulltext (pdf) av Charge and Spin Dynamics and Enantioselectivity in Chiral Molecules
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Comment on "Proper and improper chiral magnetic interactions"
Ingår i Physical Review B, 2022.
DOI för Comment on "Proper and improper chiral magnetic interactions"
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Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces
Ingår i Nanoscale Advances, s. 884-893, 2022.
DOI för Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces Ladda ner fulltext (pdf) av Contact electrification through interfacial charge transfer: a mechanistic viewpoint on solid-liquid interfaces
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Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques
Ingår i Chem, 2022.
DOI för Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques Ladda ner fulltext (pdf) av Correlations between precipitation reactions and electrochemical performance of lithium-sulfur batteries probed by operando scattering techniques
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Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron
Ingår i Materials, 2022.
DOI för Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron Ladda ner fulltext (pdf) av Density Functional Theory Description of Paramagnetic Hexagonal Close-Packed Iron
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Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications
Ingår i Wiley Interdisciplinary Reviews. Computational Molecular Science, 2022.
DOI för Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications Ladda ner fulltext (pdf) av Dimensionality effects in high-performance thermoelectric materials: Computational and experimental progress in energy harvesting applications
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Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations
Ingår i NPJ QUANTUM MATERIALS, 2022.
DOI för Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations Ladda ner fulltext (pdf) av Disorder-robust phase crystal in high-temperature superconductors stabilized by strong correlations
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Dynamical correlations in single-layer CrI3
Ingår i Physical Review B, 2022.
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Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells
Ingår i Scientific Reports, 2022.
DOI för Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells Ladda ner fulltext (pdf) av Dynamical modeling of miR-34a, miR-449a, and miR-16 reveals numerous DDR signaling pathways regulating senescence, autophagy, and apoptosis in HeLa cells
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Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications
Ingår i Frontiers in Bioengineering and Biotechnology, 2022.
DOI för Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications Ladda ner fulltext (pdf) av Editorial: Green Perspective of Nano-Biotechnology: Nanotoxicity Horizon to Biomedical Applications
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Effects of composition and magnetism on interfacial energy in Cu-Co alloys
Ingår i Physical Review Materials, 2022.
DOI för Effects of composition and magnetism on interfacial energy in Cu-Co alloys Ladda ner fulltext (pdf) av Effects of composition and magnetism on interfacial energy in Cu-Co alloys
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Electronic and magnetic behaviors of (V, Mn), (V, Fe) and (V, Cu) codoped tin carbide: Ab initio and Monte Carlo calculations
Ingår i Materials Today, s. 448-453, 2022.
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Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets
Ingår i Physical Review B, 2022.
DOI för Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets Ladda ner fulltext (pdf) av Element-selective ultrafast magnetization dynamics of hybrid Stoner-Heisenberg magnets
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Elucidating the reaction pathway of crystalline multi-metal borides for highly efficient oxygen-evolving electrocatalysts
Ingår i Journal of Materials Chemistry A, s. 1569-1578, 2022.
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Engineering the hydrogen storage properties of the perovskite hydride ZrNiH3 by uniaxial/biaxial strain
Ingår i International journal of hydrogen energy, s. 3022-3032, 2022.
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Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn5
Ingår i Science, s. 76-81, 2022.
DOI för Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn5 Ladda ner fulltext (pdf) av Evidence for a delocalization quantum phase transition without symmetry breaking in CeCoIn5
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Exploring the relationship between Ln leaching and Ln-O binding energy in monazite (Nd, Sm, Eu)
Ingår i Journal of The American Ceramic Society, s. 553-563, 2022.
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First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer
Ingår i Superlattices and Microstructures, 2022.
DOI för First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer Ladda ner fulltext (pdf) av First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayer
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Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes
Ingår i Electrochimica Acta, 2022.
DOI för Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes Ladda ner fulltext (pdf) av Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes
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Harnessing elastic anisotropy to achieve low-modulus refractory high-entropy alloys for biomedical applications
Ingår i Materials & design, 2022.
DOI för Harnessing elastic anisotropy to achieve low-modulus refractory high-entropy alloys for biomedical applications Ladda ner fulltext (pdf) av Harnessing elastic anisotropy to achieve low-modulus refractory high-entropy alloys for biomedical applications
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High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes
Ingår i International journal of hydrogen energy, s. 10654-10664, 2022.
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Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 1532-1543, 2022.
DOI för Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides Ladda ner fulltext (pdf) av Imaging of femtosecond bond breaking and charge dynamics in ultracharged peptides
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Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices
Ingår i Physical Review B, 2022.
DOI för Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices Ladda ner fulltext (pdf) av Influence of deuterium-induced volume changes on optical transmission in Fe/V (001) and Cr/V (001) superlattices
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Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvesting
Ingår i Applied Surface Science, 2022.
DOI för Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvesting Ladda ner fulltext (pdf) av Janus Aluminum Oxysulfide Al2OS: A promising 2D direct semiconductor photocatalyst with strong visible light harvesting
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Magnetism and magnetic structure determination of a selected (Mn,Co)(23)B-6-compound
Ingår i Journal of Alloys and Compounds, 2022.
DOI för Magnetism and magnetic structure determination of a selected (Mn,Co)(23)B-6-compound Ladda ner fulltext (pdf) av Magnetism and magnetic structure determination of a selected (Mn,Co)(23)B-6-compound
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Modified KBBF-like Material for Energy Storage Applications: ZnNiBO3(OH) with Enhanced Cycle Life
Ingår i ACS Applied Materials and Interfaces, s. 8025-8035, 2022.
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Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis
Ingår i Green Chemistry, s. 1190-1210, 2022.
DOI för Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis Ladda ner fulltext (pdf) av Molecular nanoinformatics approach assessing the biocompatibility of biogenic silver nanoparticles with channelized intrinsic steatosis and apoptosis
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Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms
Ingår i Journal of Nanobiotechnology, 2022.
DOI för Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms Ladda ner fulltext (pdf) av Nanocarrier cancer therapeutics with functional stimuli-responsive mechanisms
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Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling
Ingår i Communications Physics, 2022.
DOI för Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling Ladda ner fulltext (pdf) av Nematic superconductivity in magic-angle twisted bilayer graphene from atomistic modeling
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Observation of multiple nodal lines in SmSbTe
Ingår i Physical Review Materials, 2022.
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Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice
Ingår i NPJ COMPUTATIONAL MATERIALS, 2022.
DOI för Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice Ladda ner fulltext (pdf) av Persistent half-metallic ferromagnetism in a (111)-oriented manganite superlattice
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Phage delivered CRISPR-Cas system to combat multidrug-resistant pathogens in gut microbiome
Ingår i Biomedicine and Pharmacotherapy, 2022.
DOI för Phage delivered CRISPR-Cas system to combat multidrug-resistant pathogens in gut microbiome Ladda ner fulltext (pdf) av Phage delivered CRISPR-Cas system to combat multidrug-resistant pathogens in gut microbiome
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Plasmodium falciparum HSP40 protein eCiJp traffics to the erythrocyte cytoskeleton and interacts with the human HSP70 chaperone HSPA1
Ingår i FEBS Letters, s. 95-111, 2022.
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Plasmonic lasers turn magnetic
Ingår i Nature Photonics, s. 11-13, 2022.
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Preparation and properties of situ-sintered SiC ceramics aided by ZnO-Al2O3-CaO
Ingår i Journal of Alloys and Compounds, 2022.
DOI för Preparation and properties of situ-sintered SiC ceramics aided by ZnO-Al2O3-CaO
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Pressure induced structural phase transition and piezochromism in photovoltaic sillen compounds PbBiO2X (X = Cl, Br & I)
Ingår i APPLIED MATERIALS TODAY, 2022.
DOI för Pressure induced structural phase transition and piezochromism in photovoltaic sillen compounds PbBiO2X (X = Cl, Br & I) Ladda ner fulltext (pdf) av Pressure induced structural phase transition and piezochromism in photovoltaic sillen compounds PbBiO2X (X = Cl, Br & I)
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Pushing the limit of thermal conductivity of MAX borides and MABs
Ingår i Journal of Materials Science & Technology, s. 79-88, 2022.
DOI för Pushing the limit of thermal conductivity of MAX borides and MABs
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Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride
Ingår i Physica status solidi. B, Basic research, 2022.
DOI för Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride Ladda ner fulltext (pdf) av Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride
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Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd
Ingår i MATERIALS RESEARCH LETTERS, s. 156-162, 2022.
DOI för Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd Ladda ner fulltext (pdf) av Realistic first-principles calculations of the magnetocaloric effect: applications to hcp Gd
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Relativistic Effects in Platinum Nanocluster Catalysis: A Statistical Ensemble-Based Analysis
Ingår i Journal of Physical Chemistry A, s. 1345-1359, 2022.
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Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries
Ingår i Nano Energy, 2022.
DOI för Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries Ladda ner fulltext (pdf) av Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries
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Robust topological superconductivity in weakly coupled nanowire-superconductor hybrid structures
Ingår i Physical Review B, 2022.
DOI för Robust topological superconductivity in weakly coupled nanowire-superconductor hybrid structures Ladda ner fulltext (pdf) av Robust topological superconductivity in weakly coupled nanowire-superconductor hybrid structures
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Roles of optical phonons and logarithmic profile of electron-phonon coupling integration in superconducting Sc0.5Y0.5H6 superhydride under pressures
Ingår i Journal of Alloys and Compounds, 2022.
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Spin-lattice couplings in two-dimensional CrI3 from first-principles computations
Ingår i Physical Review B, 2022.
DOI för Spin-lattice couplings in two-dimensional CrI3 from first-principles computations Ladda ner fulltext (pdf) av Spin-lattice couplings in two-dimensional CrI3 from first-principles computations
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Stabilizing superconductivity of ternary metal pentahydride CaCH5 via electronic topological transitions under high pressure from first principles evolutionary algorithm
Ingår i Scientific Reports, 2022.
DOI för Stabilizing superconductivity of ternary metal pentahydride CaCH5 via electronic topological transitions under high pressure from first principles evolutionary algorithm Ladda ner fulltext (pdf) av Stabilizing superconductivity of ternary metal pentahydride CaCH5 via electronic topological transitions under high pressure from first principles evolutionary algorithm
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Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ(2) (Q = S, Se) monolayer
Ingår i Scientific Reports, 2022.
DOI för Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ(2) (Q = S, Se) monolayer Ladda ner fulltext (pdf) av Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ(2) (Q = S, Se) monolayer
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Strain-mediated ferromagnetism and low-field magnetic reversal in Co doped monolayer WS2
Ingår i Scientific Reports, 2022.
DOI för Strain-mediated ferromagnetism and low-field magnetic reversal in Co doped monolayer WS2 Ladda ner fulltext (pdf) av Strain-mediated ferromagnetism and low-field magnetic reversal in Co doped monolayer WS2
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Structures, stabilities, optoelectronic and photocatalytic properties of Janus aluminium mono-chalcogenides Al(Ga, In)STe monolayers
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2022.
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Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory
Ingår i The Journal of Physical Chemistry C, s. 3257-3264, 2022.
DOI för Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory Ladda ner fulltext (pdf) av Temperature-Dependent Chiral-Induced Spin Selectivity Effect: Experiments and Theory
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Theoretical and experimental study of phase transformation and twinning behavior in metastable high-entropy alloys
Ingår i Journal of Materials Science & Technology, s. 161-168, 2022.
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Thermo-elastic behavior of hexagonal Sc-Ti-Zr-Hf high-entropy alloys
Ingår i Journal of Physics D, 2022.
DOI för Thermo-elastic behavior of hexagonal Sc-Ti-Zr-Hf high-entropy alloys
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Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: A first principle analysis
Ingår i JOURNAL OF SCIENCE-ADVANCED MATERIALS AND DEVICES, 2022.
DOI för Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: A first principle analysis Ladda ner fulltext (pdf) av Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: A first principle analysis
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Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy
Ingår i JOURNAL OF POWER SOURCES ADVANCES, 2022.
DOI för Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy Ladda ner fulltext (pdf) av Tuning the photocatalytic properties of porphyrins for hydrogen evolution reaction: An in-silico design strategy
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Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications
Ingår i ACS Applied Energy Materials, s. 2300-2307, 2022.
DOI för Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications Ladda ner fulltext (pdf) av Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applications
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Universal quantum computation and quantum error correction using discrete holonomies
Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2022.
DOI för Universal quantum computation and quantum error correction using discrete holonomies Ladda ner fulltext (pdf) av Universal quantum computation and quantum error correction using discrete holonomies
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Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
Ingår i Journal of Physical Chemistry Letters, s. 4877-4883, 2022.
DOI för Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions Ladda ner fulltext (pdf) av Unusual Magnetic Features in Two-Dimensional Fe5GeTe2 Induced by Structural Reconstructions
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Weak antilocalization and electron-electron interactions in topological insulator BixTey films deposited by sputtering on Si(100)
Ingår i Physical Review Materials, 2022.
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X-ray Induced Fragmentation of Protonated Cystine
Ingår i Journal of Physical Chemistry A, s. 1496-1503, 2022.
DOI för X-ray Induced Fragmentation of Protonated Cystine Ladda ner fulltext (pdf) av X-ray Induced Fragmentation of Protonated Cystine
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2D MgF2 nanosheet as a promising candidate for thermoelectric material
Ingår i Materials today, s. 555-558, 2021.
DOI för 2D MgF2 nanosheet as a promising candidate for thermoelectric material
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2p x-ray absorption spectroscopy of 3d transition metal systems
Ingår i Journal of Electron Spectroscopy and Related Phenomena, 2021.
DOI för 2p x-ray absorption spectroscopy of 3d transition metal systems Ladda ner fulltext (pdf) av 2p x-ray absorption spectroscopy of 3d transition metal systems
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3D Lattice-Matching Layered Hydroxide Heterostructure with Improved Interfacial Charge Transfer and Ion Diffusion for High Energy Density Supercapacitor
Ingår i Advanced Materials Interfaces, 2021.
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A DMI Guide to Magnets Micro-World
Ingår i Journal of Experimental and Theoretical Physics, s. 506-516, 2021.
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A new CBD-CC-E spectral similarity scale for optimizing computer-simulated UV?vis spectra
Ingår i Computational and Theoretical Chemistry, 2021.
DOI för A new CBD-CC-E spectral similarity scale for optimizing computer-simulated UV?vis spectra
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A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction
Ingår i Journal of Energy Chemistry, s. 428-436, 2021.
DOI för A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction
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Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17
Ingår i Journal of Alloys and Compounds, 2021.
DOI för Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17 Ladda ner fulltext (pdf) av Ab-initio study of the electronic structure and magnetic properties of Ce2Fe17
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Absolute surface energies of wurtzite (101‾1) surfaces and the instability of the cation-adsorbed surfaces of II-VI semiconductors
Ingår i Applied Physics Letters, 2021.
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Adsorption characteristics of amino acids on graphene and germanene using dispersion-corrected density functional theory
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.
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All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film
Ingår i European Journal of Inorganic Chemistry, s. 1736-1744, 2021.
DOI för All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film Ladda ner fulltext (pdf) av All-alkoxide based deposition and properties of a multilayer La0.67Sr0.33MnO3/CoFe2O4/La0.67Sr0.33MnO3 film
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Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction
Ingår i MATERIALS TODAY BIO, 2021.
DOI för Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction Ladda ner fulltext (pdf) av Altered electrochemical properties of iron oxide nanoparticles by carbon enhance molecular biocompatibility through discrepant atomic interaction
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Antichiral ferromagnetism
Ingår i Physical Review B, 2021.
DOI för Antichiral ferromagnetism Ladda ner fulltext (pdf) av Antichiral ferromagnetism
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Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries
Ingår i Energy & Fuels, s. 9001-9009, 2021.
DOI för Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries Ladda ner fulltext (pdf) av Antimonene Allotropes alpha- and beta-Phases as Promising Anchoring Materials for Lithium-Sulfur Batteries
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As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution
Ingår i ISCIENCE, 2021.
DOI för As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution Ladda ner fulltext (pdf) av As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H-2 evolution
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Assessing the Donor-Acceptor Nature and the Electrochemical Stability of a Fluorene-Diketopyrrolopyrrole-Thiophene-Based Copolymer
Ingår i ACS APPLIED POLYMER MATERIALS, s. 4223-4233, 2021.
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Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys
Ingår i Journal of Materials Science & Technology, s. 66-74, 2021.
DOI för Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys Ladda ner fulltext (pdf) av Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys
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Atomic Structure and Electron Magnetic Circular Dichroism of Individual Rock Salt Structure Antiphase Boundaries in Spinel Ferrites
Ingår i Advanced Functional Materials, 2021.
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Autoimmunity roots of the thrombotic events after COVID-19 vaccination
Ingår i Autoimmunity Reviews, 2021.
DOI för Autoimmunity roots of the thrombotic events after COVID-19 vaccination
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Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure
Ingår i Physica status solidi. B, Basic research, 2021.
DOI för Bain Deformation Mechanism and Lifshitz Transition in Magnesium under High Pressure
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Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost
Ingår i ACS Nano, s. 4347-4356, 2021.
DOI för Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost Ladda ner fulltext (pdf) av Band-Order Anomaly at the gamma-Al2O3/SrTiO3 Interface Drives the Electron-Mobility Boost
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Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment
Ingår i Materials Today, s. 533-569, 2021.
DOI för Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment Ladda ner fulltext (pdf) av Bio-acceptable 0D and 1D ZnO nanostructures for cancer diagnostics and treatment
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Biocompatibility of an additively manufactured zirconium-based bulk metallic glass: Effect of surface roughness on osteoblastic cell response
Ingår i Swedish Arena for Metal Additive Manufacturing 2021., 2021.
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Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)(2)(CO)(2)](2+): insights from first-principles theory
Ingår i Sustainable Energy & Fuels, s. 6066-6076, 2021.
DOI för Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)(2)(CO)(2)](2+): insights from first-principles theory Ladda ner fulltext (pdf) av Carbon dioxide reduction mechanism on Ru-based electrocatalysts [Ru(bpy)(2)(CO)(2)](2+): insights from first-principles theory
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Carbon Nitride Monolayers as Efficient Immobilizers toward Lithium Selenides: Potential Applications in Lithium-Selenium Batteries
Ingår i ACS Applied Energy Materials, s. 3891-3904, 2021.
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Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene
Ingår i Physical Review B, 2021.
DOI för Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene Ladda ner fulltext (pdf) av Cascade of replica bands in flat-band systems: Predictions for twisted bilayer graphene
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Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules
Ingår i Nano Letters, s. 3026-3032, 2021.
DOI för Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules Ladda ner fulltext (pdf) av Charge Redistribution and Spin Polarization Driven by Correlation Induced Electron Exchange in Chiral Molecules
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Comparative study of state-of-the-art matrix-product-state methods for lattice models with large local Hilbert spaces without U(1) symmetry
Ingår i Computer Physics Communications, 2021.
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Comparison of high temperature growth versus post-deposition in situ annealing in attaining very low Gilbert damping in sputtered Co2FeAl Heusler alloy films
Ingår i Journal of Magnetism and Magnetic Materials, 2021.
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Complex magnetic textures in Ni/Ir-n/Pt(111) ultrathin films
Ingår i Physical Review Materials, 2021.
DOI för Complex magnetic textures in Ni/Ir-n/Pt(111) ultrathin films
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Computational identification of efficient 2D Aluminium chalcogenides monolayers for optoelectronics and photocatalysts applications
Ingår i Applied Surface Science, 2021.
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Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
Ingår i Physical Review B, 2021.
DOI för Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3 Ladda ner fulltext (pdf) av Connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO3
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Construction of A-B heterolayer intermetallic crystals: Case studies of the 1144-phase TM-phosphides AB(TM)(4)P-4 (TM=Fe, Ru, Co, Ni)
Ingår i Physical Review Materials, 2021.
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Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface
Ingår i Physical Review Letters, 2021.
DOI för Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface Ladda ner fulltext (pdf) av Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2 (110) Surface
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Correlation between reduced dielectric loss and charge migration kinetics in NdFeO3-modified Ba0.7Sr0.3TiO3 ceramics
Ingår i Journal of materials science. Materials in electronics, s. 24910-24929, 2021.
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Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor
Ingår i Nano Letters, s. 6748-6755, 2021.
DOI för Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor Ladda ner fulltext (pdf) av Correlation of Yu-Shiba-Rusinov States and Kondo Resonances in Artificial Spin Arrays on an s-Wave Superconductor
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Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.
DOI för Curvature-induced effects in semiconducting alkaline-earth metal silicide nanotubes
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Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials
Ingår i Journal of Physical Chemistry Letters, s. 12048-12054, 2021.
DOI för Data-Driven Studies of the Magnetic Anisotropy of Two-Dimensional Magnetic Materials
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Defect evolution behaviors from single sulfur point vacancies to line vacancies in monolayer molybdenum disulfide
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 19525-19536, 2021.
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Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles: proximal discrepancy in intrinsic atomic interactions at differential vicinage
Ingår i Green Chemistry, s. 3439-3458, 2021.
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Deterministic chaos and fractal entropy scaling in Floquet conformal field theories
Ingår i Physical Review B, 2021.
DOI för Deterministic chaos and fractal entropy scaling in Floquet conformal field theories Ladda ner fulltext (pdf) av Deterministic chaos and fractal entropy scaling in Floquet conformal field theories
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Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors
Ingår i Physical Review B, 2021.
DOI för Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors Ladda ner fulltext (pdf) av Diamagnetic and paramagnetic Meissner effect from odd-frequency pairing in multiorbital superconductors
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Direction-Sensitive Magnetophotonic Surface Crystals
Ingår i Advanced Photonics Research, 2021.
DOI för Direction-Sensitive Magnetophotonic Surface Crystals
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Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions
Ingår i Physical Review B, 2021.
DOI för Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions Ladda ner fulltext (pdf) av Disorder-robust p-wave pairing with odd-frequency dependence in normal metal-conventional superconductor junctions
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Dissociation of air pollutants on the uniform surface of pentagonal BeP2
Ingår i Applied Surface Science, 2021.
DOI för Dissociation of air pollutants on the uniform surface of pentagonal BeP2
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Distinguishing trivial and topological zero-energy states in long nanowire junctions
Ingår i Physical Review B, 2021.
DOI för Distinguishing trivial and topological zero-energy states in long nanowire junctions Ladda ner fulltext (pdf) av Distinguishing trivial and topological zero-energy states in long nanowire junctions
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Effect of Charge Injection on the Conducting Filament of Valence Change Anatase TiO2 Resistive Random Access Memory Device
Ingår i Journal of Physical Chemistry Letters, s. 1876-1884, 2021.
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Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation
Ingår i Physical Review Materials, 2021.
DOI för Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation Ladda ner fulltext (pdf) av Effect of strain on generalized stacking fault energies and plastic deformation modes in fcc-hcp polymorphic high-entropy alloys: A first-principles investigation
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Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries
Ingår i ACS Applied Energy Materials, s. 215-225, 2021.
DOI för Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries Ladda ner fulltext (pdf) av Effect of the Niobium Doping Concentration on the Charge Storage Mechanism of Mesoporous Anatase Beads as an Anode for High-Rate Li-Ion Batteries
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Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6
Ingår i ACR Open Rheumatology, s. 642-653, 2021.
DOI för Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6 Ladda ner fulltext (pdf) av Effects of Atorvastatin on T-Cell Activation and Apoptosis in Systemic Lupus Erythematosus and Novel Simulated Interactions With C-Reactive Protein and Interleukin 6
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Effects of bipolarons on oxidation states, and the electronic and optical properties of W18O49
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 25824-25829, 2021.
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Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces
Ingår i SciPost Physics, 2021.
DOI för Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces Ladda ner fulltext (pdf) av Efficient and flexible approach to simulate low-dimensional quantum lattice models with large local Hilbert spaces
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Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems
Ingår i Physical Review B, 2021.
DOI för Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems Ladda ner fulltext (pdf) av Efficient numerical method for evaluating normal and anomalous time-domain equilibrium Green's functions in inhomogeneous systems
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Electric Field-Modulated Charge Transfer in Geometrically Tailored MoX2/WX2 (X = S, Se) Heterostructures
Ingår i The Journal of Physical Chemistry C, s. 22360-22369, 2021.
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Electrically tunable band gap in strained h-BN/silicene van der Waals heterostructures
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 17033-17040, 2021.
DOI för Electrically tunable band gap in strained h-BN/silicene van der Waals heterostructures
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Electron localization function implementation in the exact muffin-tin orbitals method
Ingår i Physical Review B, 2021.
DOI för Electron localization function implementation in the exact muffin-tin orbitals method Ladda ner fulltext (pdf) av Electron localization function implementation in the exact muffin-tin orbitals method
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Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping
Ingår i ACS APPLIED ELECTRONIC MATERIALS, s. 733-742, 2021.
DOI för Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping Ladda ner fulltext (pdf) av Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping
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Electronic, optical and thermoelectric properties of two-dimensional pentagonal SiGeC4 nanosheet for photovoltaic applications: First-principles calculations
Ingår i Superlattices and Microstructures, 2021.
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Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation
Ingår i The Journal of Physical Chemistry C, s. 11714-11721, 2021.
DOI för Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation Ladda ner fulltext (pdf) av Element-Specific Magnetization Dynamics in Co-Pt Alloys Induced by Strong Optical Excitation
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Enhanced overall water splitting under visible light of MoSSe vertical bar WSSe heterojunction by lateral interfacial engineering
Ingår i Journal of Catalysis, s. 18-31, 2021.
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Enhanced Oxygen Evolution Reaction with a Ternary Hybrid of Patronite-Carbon Nanotube-Reduced Graphene Oxide: A Synergy between Experiments and Theory
Ingår i ACS Applied Materials and Interfaces, s. 35828-35836, 2021.
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Enhancing energy storage efficiency of lithiated carbon nitride (C7N6) monolayers under co-adsorption of H-2 and CH4
Ingår i International journal of hydrogen energy, s. 19988-19997, 2021.
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Enthalpy stabilization of superconductivity in an alloying S-P-H system: First-principles cluster expansion study under high pressure
Ingår i Computational materials science, 2021.
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Evolution of Spatial Political Community Structures in Sweden 1985–2018
Ingår i Complex Networks & Their Applications IX, s. 275-285, 2021.
DOI för Evolution of Spatial Political Community Structures in Sweden 1985–2018 Ladda ner fulltext (pdf) av Evolution of Spatial Political Community Structures in Sweden 1985–2018
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Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection
Ingår i RSC Advances, s. 35982-35987, 2021.
DOI för Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection Ladda ner fulltext (pdf) av Fabrication of BP2T functionalized graphene via non-covalent π-π stacking interactions for enhanced ammonia detection
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Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism
Ingår i The Journal of Physical Chemistry C, s. 1723-1730, 2021.
DOI för Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism
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Fractional integral representation in statistical thermodynamics of confined systems
Ingår i Physical review. E, 2021.
DOI för Fractional integral representation in statistical thermodynamics of confined systems Ladda ner fulltext (pdf) av Fractional integral representation in statistical thermodynamics of confined systems
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Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz
Ingår i Advanced Materials, 2021.
DOI för Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz Ladda ner fulltext (pdf) av Frequency-Independent Terahertz Anomalous Hall Effect in DyCo5, Co32Fe68, and Gd27Fe73 Thin Films from DC to 40 THz
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Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination
Ingår i Physical Review B, 2021.
DOI för Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination Ladda ner fulltext (pdf) av Frequency-resolved frozen phonon multislice method and its application to vibrational electron energy loss spectroscopy using parallel illumination
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H- and T-Li2O monolayers: Latest addition to 2D flatlands
Ingår i Applied Surface Science, 2021.
DOI för H- and T-Li2O monolayers: Latest addition to 2D flatlands
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Harnessing the unique properties of MXenes for advanced rechargeable batteries
Ingår i Journal of Physics, 2021.
DOI för Harnessing the unique properties of MXenes for advanced rechargeable batteries Ladda ner fulltext (pdf) av Harnessing the unique properties of MXenes for advanced rechargeable batteries
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Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
Ingår i Physical Review B, 2021.
DOI för Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling Ladda ner fulltext (pdf) av Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
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High-order finite difference method for the Schrödinger equation on deforming domains
Ingår i Journal of Computational Physics, 2021.
DOI för High-order finite difference method for the Schrödinger equation on deforming domains Ladda ner fulltext (pdf) av High-order finite difference method for the Schrödinger equation on deforming domains
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High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus
Ingår i ACS Applied Energy Materials, s. 7900-7910, 2021.
DOI för High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus Ladda ner fulltext (pdf) av High-Specific-Capacity and High-Performing Post-Lithium-Ion Battery Anode over 2D Black Arsenic Phosphorus
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High-temperature superconductor of sodalite-like clathrate hafnium hexahydride
Ingår i Scientific Reports, 2021.
DOI för High-temperature superconductor of sodalite-like clathrate hafnium hexahydride Ladda ner fulltext (pdf) av High-temperature superconductor of sodalite-like clathrate hafnium hexahydride
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High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case
Ingår i Journal of Alloys and Compounds, 2021.
DOI för High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case Ladda ner fulltext (pdf) av High-throughput compatible approach for entropy estimation in magnetocaloric materials: FeRh as a test case
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Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer
Ingår i New Journal of Chemistry, s. 3892-3900, 2021.
DOI för Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer Ladda ner fulltext (pdf) av Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer
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Ideal superelasticity in Ni-based Heusler alloys
Ingår i Acta Materialia, 2021.
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Impact of stacking on the optoelectronic properties of 2D ZrS2/GaS heterostructure
Ingår i Materials today, s. 526-528, 2021.
DOI för Impact of stacking on the optoelectronic properties of 2D ZrS2/GaS heterostructure
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In Situ Pseudopotentials for Electronic Structure Theory
Ingår i The Journal of Physical Chemistry C, s. 15103-15111, 2021.
DOI för In Situ Pseudopotentials for Electronic Structure Theory Ladda ner fulltext (pdf) av In Situ Pseudopotentials for Electronic Structure Theory
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Induced odd-frequency superconducting state in vertex-corrected Eliashberg theory
Ingår i Physical Review B, 2021.
DOI för Induced odd-frequency superconducting state in vertex-corrected Eliashberg theory Ladda ner fulltext (pdf) av Induced odd-frequency superconducting state in vertex-corrected Eliashberg theory
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Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets
Ingår i Physical Review B, 2021.
DOI för Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets Ladda ner fulltext (pdf) av Influence of intersublattice coupling on the terahertz nutation spin dynamics in antiferromagnets
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Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems
Ingår i Physical Review B, 2021.
DOI för Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems Ladda ner fulltext (pdf) av Influence of phonon renormalization in Eliashberg theory for superconductivity in two- and three-dimensional systems
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Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys
Ingår i Proceedings of the National Academy of Sciences of the United States of America, 2021.
DOI för Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys
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Investigating hollandite-perovskite composite ceramics as a potential waste form for immobilization of radioactive cesium and strontium
Ingår i Journal of Materials Science, s. 9644-9654, 2021.
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Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations
Ingår i The Journal of Physical Chemistry C, s. 3631-3639, 2021.
DOI för Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations Ladda ner fulltext (pdf) av Large-Scale Screening of Interface Parameters in the WC/W System Using Classical Force Field and First-Principles Calculations
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Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier
Ingår i International journal of hydrogen energy, s. 20586-20593, 2021.
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Local electrocatalytic activity of PtRu supported on nitrogen-doped carbon nanotubes towards methanol oxidation by scanning electrochemical microscopy
Ingår i Journal of Materials Chemistry A, s. 21291-21301, 2021.
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Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys
Ingår i Physical Review Applied, 2021.
DOI för Magnetic Damping in Polycrystalline Thin-Film Fe-V Alloys
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Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation
Ingår i Physical Review B, 2021.
DOI för Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation Ladda ner fulltext (pdf) av Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation
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Magnetocaloric properties of melt-spun MnFe-rich high-entropy alloy
Ingår i Applied Physics Letters, 2021.
DOI för Magnetocaloric properties of melt-spun MnFe-rich high-entropy alloy
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Material informatics for uranium-bearing equiatomic disordered solid solution alloys
Ingår i Materials Today Communications, 2021.
DOI för Material informatics for uranium-bearing equiatomic disordered solid solution alloys Ladda ner fulltext (pdf) av Material informatics for uranium-bearing equiatomic disordered solid solution alloys
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Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation
Ingår i Sustainable Energy & Fuels, s. 564-574, 2021.
DOI för Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation Ladda ner fulltext (pdf) av Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation
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Mechanisms behind large Gilbert damping anisotropies
Ingår i Physical Review B, 2021.
DOI för Mechanisms behind large Gilbert damping anisotropies
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Mechanistic Understanding of the Interactions and Pseudocapacitance of Multi-Electron Redox Organic Molecules Sandwiched between MXene Layers
Ingår i Advanced Electronic Materials, 2021.
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MnxCr0.3Fe0.5Co0.2Ni0.5Al0.3 high entropy alloys for magnetocaloric refrigeration near room temperature
Ingår i Journal of Materials Science & Technology, s. 15-20, 2021.
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Molecular toxicity of Benzo(a)pyrene mediated by elicited oxidative stress infer skeletal deformities and apoptosis in embryonic zebrafish
Ingår i Science of the Total Environment, 2021.
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MXene binder stabilizes pseudocapacitance of conducting polymers
Ingår i Journal of Materials Chemistry A, s. 20356-20361, 2021.
DOI för MXene binder stabilizes pseudocapacitance of conducting polymers
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Nature of the magnetic moment of cobalt in ordered FeCo alloy
Ingår i Journal of Physics, 2021.
DOI för Nature of the magnetic moment of cobalt in ordered FeCo alloy
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Nitrogen-Containing Gas Sensing Properties of 2-D Ti2N and Its Derivative Nanosheets: Electronic Structures Insight
Ingår i Nanomaterials, 2021.
DOI för Nitrogen-Containing Gas Sensing Properties of 2-D Ti2N and Its Derivative Nanosheets: Electronic Structures Insight Ladda ner fulltext (pdf) av Nitrogen-Containing Gas Sensing Properties of 2-D Ti2N and Its Derivative Nanosheets: Electronic Structures Insight
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NMR Refinement and Peptide Folding Using the GROMACS Software
Ingår i Journal of Biomolecular NMR, s. 143-149, 2021.
DOI för NMR Refinement and Peptide Folding Using the GROMACS Software Ladda ner fulltext (pdf) av NMR Refinement and Peptide Folding Using the GROMACS Software
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Novel green phosphorene as a superior chemical gas sensing material
Ingår i Journal of Hazardous Materials, 2021.
DOI för Novel green phosphorene as a superior chemical gas sensing material
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Odd-frequency pair density wave correlations in underdoped cuprates
Ingår i New Journal of Physics, 2021.
DOI för Odd-frequency pair density wave correlations in underdoped cuprates
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One dimensional Au-ZnO hybrid nanostructures based CO2 detection: Growth mechanism and role of the seed layer on sensing performance
Ingår i Sensors and actuators. B, Chemical, 2021.
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Orbital occupancy and hybridization in strained SrVO3 epitaxial films
Ingår i Physical Review Materials, 2021.
DOI för Orbital occupancy and hybridization in strained SrVO3 epitaxial films
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Osteoblastic cell response to an additively manufactured zirconium-based bulk metallic glass
Ingår i 31st Conference of the European Society for Biomaterials., 2021.
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Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering
Ingår i ACTA CRYSTALLOGRAPHICA A - FOUNDATION AND ADVANCES, s. 509-518, 2021.
DOI för Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering Ladda ner fulltext (pdf) av Parameterization of magnetic vector potentials and fields for efficient multislice calculations of elastic electron scattering
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Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures
Ingår i Physical Review B, 2021.
DOI för Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures Ladda ner fulltext (pdf) av Phonon-mode specific contributions to room-temperature superconductivity in atomic hydrogen at high pressures
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Polypeptoid Material as an Anchoring Material for Li-S Batteries
Ingår i ACS Applied Energy Materials, s. 13070-13076, 2021.
DOI för Polypeptoid Material as an Anchoring Material for Li-S Batteries Ladda ner fulltext (pdf) av Polypeptoid Material as an Anchoring Material for Li-S Batteries
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Potential SiX (X = N, P, As, Sb, Bi) homo-bilayers for visible-light photocatalyst applications
Ingår i Catalysis Science & Technology, s. 4996-5013, 2021.
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Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures
Ingår i Physical Review B, 2021.
DOI för Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures Ladda ner fulltext (pdf) av Prediction of an unusual trigonal phase of superconducting LaH10 stable at high pressures
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Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures
Ingår i Physical Review Materials, 2021.
DOI för Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures Ladda ner fulltext (pdf) av Prediction of half-metallic ferrimagnetic quadruple perovskites ACu(3)Fe(2)Re(2)O(12) (A = Ca, Sr, Ba, Pb, Sc, Y, La) with high Curie temperatures
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Pressure-driven structural and spin-state transition in a Hofmann clathrate coordination polymer
Ingår i Journal of Magnetism and Magnetic Materials, 2021.
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Pressure-induced order-disorder transitions in beta-In2S3: an experimental and theoretical study of structural and vibrational properties
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 23625-23642, 2021.
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Pressure-promoted highly-ordered Fe-doped-Ni2B for effective oxygen evolution reaction and overall water splitting
Ingår i Journal of Materials Chemistry A, s. 6469-6475, 2021.
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Protein orientation in time-dependent electric fields: orientation before destruction
Ingår i Biophysical Journal, s. 3709-3717, 2021.
DOI för Protein orientation in time-dependent electric fields: orientation before destruction Ladda ner fulltext (pdf) av Protein orientation in time-dependent electric fields: orientation before destruction
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Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion
Ingår i Nano Letters, s. 7913-7920, 2021.
DOI för Pseudoelasticity of SrNi2P2 Micropillar via Double Lattice Collapse and Expansion
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Quantifying Spin-Mixed States in Ferromagnets
Ingår i Physical Review Letters, 2021.
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Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers
Ingår i Physical Review Materials, 2021.
DOI för Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers Ladda ner fulltext (pdf) av Quantitative comparison of electrically induced spin and orbital polarizations in heavy-metal/3d-metal bilayers
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Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity
Ingår i Advanced Materials Interfaces, 2021.
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Realizing ferromagnetic insulators in electron doped double perovskites Sr(2-x)AxMnVO(6); A = Sn, Bi
Ingår i Journal of Magnetism and Magnetic Materials, 2021.
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Realizing nonadiabatic holonomic quantum computation beyond the three-level setting
Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2021.
DOI för Realizing nonadiabatic holonomic quantum computation beyond the three-level setting Ladda ner fulltext (pdf) av Realizing nonadiabatic holonomic quantum computation beyond the three-level setting
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Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space
Ingår i ACS Omega, s. 33240-33252, 2021.
DOI för Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space Ladda ner fulltext (pdf) av Recent Advancements in Nontoxic Halide Perovskites: Beyond Divalent Composition Space
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Reduction of the sintering temperature and dielectric loss of the CCTO ceramic by doping tellurite glass
Ingår i Ceramics International, s. 10006-10012, 2021.
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Reproducibility in the unfolding process of protein induced by an external electric field
Ingår i Chemical Science, s. 2030-2038, 2021.
DOI för Reproducibility in the unfolding process of protein induced by an external electric field Ladda ner fulltext (pdf) av Reproducibility in the unfolding process of protein induced by an external electric field
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Löthman, Tomas
Robust Platforms for Superconductivity: Disorder Robustness and Topological Density of States Peaks
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Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study
Ingår i Journal of Computational Chemistry, s. 1944-1958, 2021.
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Selective decoration of nitrogenated holey graphene (C2N) with titanium clusters for enhanced hydrogen storage application
Ingår i International journal of hydrogen energy, s. 7371-7380, 2021.
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Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111)
Ingår i MAGNETOCHEMISTRY, 2021.
DOI för Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111) Ladda ner fulltext (pdf) av Self-Assembly and Magnetic Order of Bi-Molecular 2D Spin Lattices of M(II,III) Phthalocyanines on Au(111)
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Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations
Ingår i Materials Research Express, 2021.
DOI för Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations Ladda ner fulltext (pdf) av Semiconducting phase of hafnium dioxide under high pressure: a theoretical study by quasi-particle GW calculations
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Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect
Ingår i Physical Review B, 2021.
DOI för Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect Ladda ner fulltext (pdf) av Simulations of spatially and angle-resolved vibrational electron energy loss spectroscopy for a system with a planar defect
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Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope
Ingår i Scientific Reports, 2021.
DOI för Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope Ladda ner fulltext (pdf) av Simultaneous mapping of EMCD signals and crystal orientations in a transmission electron microscope
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Stabilization and electronic topological transition of hydrogen-rich metal Li5MoH11 under high pressures from first-principles predictions
Ingår i Scientific Reports, 2021.
DOI för Stabilization and electronic topological transition of hydrogen-rich metal Li5MoH11 under high pressures from first-principles predictions Ladda ner fulltext (pdf) av Stabilization and electronic topological transition of hydrogen-rich metal Li5MoH11 under high pressures from first-principles predictions
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Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor
Ingår i Physical Review B, 2021.
DOI för Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor Ladda ner fulltext (pdf) av Structural phase transition in monolayer gold(I) telluride: From a room-temperature topological insulator to an auxetic semiconductor
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Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure
Ingår i Computational materials science, 2021.
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Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations
Ingår i Materials Advances, s. 1024-1034, 2021.
DOI för Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations Ladda ner fulltext (pdf) av Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations
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Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces
Ingår i Physical Review Research, 2021.
DOI för Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces Ladda ner fulltext (pdf) av Superconductivity in spin-3/2 systems: Symmetry classification, odd-frequency pairs, and Bogoliubov Fermi surfaces
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Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 6298-6308, 2021.
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Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism
Ingår i The Journal of Physical Chemistry C, s. 18467-18473, 2021.
DOI för Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism Ladda ner fulltext (pdf) av Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism
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Temperature Dependence of Charge and Spin Transfer in Azurin
Ingår i The Journal of Physical Chemistry C, s. 9875-9883, 2021.
DOI för Temperature Dependence of Charge and Spin Transfer in Azurin Ladda ner fulltext (pdf) av Temperature Dependence of Charge and Spin Transfer in Azurin
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The influence of temperature on the elastic properties of body-centered cubic reduced activation steels
Ingår i Materials & design, 2021.
DOI för The influence of temperature on the elastic properties of body-centered cubic reduced activation steels Ladda ner fulltext (pdf) av The influence of temperature on the elastic properties of body-centered cubic reduced activation steels
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The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments dagger
Ingår i Journal of Materials Chemistry C, s. 4948-4960, 2021.
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Theoretical Prediction of a Bi-Doped beta-Antimonene Monolayer as a Highly Efficient Photocatalyst for Oxygen Reduction and Overall Water Splitting
Ingår i ACS Applied Materials and Interfaces, s. 56254-56264, 2021.
DOI för Theoretical Prediction of a Bi-Doped beta-Antimonene Monolayer as a Highly Efficient Photocatalyst for Oxygen Reduction and Overall Water Splitting Ladda ner fulltext (pdf) av Theoretical Prediction of a Bi-Doped beta-Antimonene Monolayer as a Highly Efficient Photocatalyst for Oxygen Reduction and Overall Water Splitting
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Theoretically exploring covalent bonding effect on deformability of B2/β Ti (AlxNb1-x) phase
Ingår i Computational materials science, 2021.
DOI för Theoretically exploring covalent bonding effect on deformability of B2/β Ti (AlxNb1-x) phase
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Theory of magnon diffuse scattering in scanning transmission electron microscopy
Ingår i Physical Review B, 2021.
DOI för Theory of magnon diffuse scattering in scanning transmission electron microscopy Ladda ner fulltext (pdf) av Theory of magnon diffuse scattering in scanning transmission electron microscopy
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Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries
Ingår i Journal of Power Sources, 2021.
DOI för Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries Ladda ner fulltext (pdf) av Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries
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Threshold switching memristor-based stochastic neurons for probabilistic computing
Ingår i Materials Horizons, s. 619-629, 2021.
DOI för Threshold switching memristor-based stochastic neurons for probabilistic computing
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Tuning the Nanoparticle Interfacial Properties and Stability of the Core-Shell Structure in Zn-Doped NiMoO4@AWO(4)
Ingår i ACS Applied Materials and Interfaces, s. 56116-56130, 2021.
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Two-dimensional Janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: First principles computations
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2021.
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Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones
Ingår i New Journal of Physics, 2021.
DOI för Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones Ladda ner fulltext (pdf) av Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones
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Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer
Ingår i Journal of Materials Science, s. 3846-3860, 2021.
DOI för Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer
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Unconventional superconductivity mediated solely by isotropic electron-phonon interaction
Ingår i Physical Review B, 2021.
DOI för Unconventional superconductivity mediated solely by isotropic electron-phonon interaction Ladda ner fulltext (pdf) av Unconventional superconductivity mediated solely by isotropic electron-phonon interaction
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Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+
Ingår i Journal of Chemical Physics, 2021.
DOI för Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+ Ladda ner fulltext (pdf) av Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2+
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What is the Role of Nb on Preferential Hydriding of Double-Phased Uranium, Stabilizing gamma-U, or Avoiding Hydrogen Aggregation?
Ingår i The Journal of Physical Chemistry C, s. 9364-9370, 2021.
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2D g-C3N4 monolayer for amino acids sequencing
Ingår i Applied Surface Science, 2020.
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2D Monolayer Boron Sulfide as an Efficient Material for Optical Nanodevices
Ingår i 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.
DOI för 2D Monolayer Boron Sulfide as an Efficient Material for Optical Nanodevices
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A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young's modulus
Ingår i Computational materials science, 2020.
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A comparative theoretical investigation of optoelectronic and mechanical properties of KYS2 and KLaS2
Ingår i Materials Science in Semiconductor Processing, 2020.
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A Game Theoretic Perspective on the Utterance Selection Model for Language Change
Ingår i The Evolution of Language, 2020.
DOI för A Game Theoretic Perspective on the Utterance Selection Model for Language Change Ladda ner fulltext (pdf) av A Game Theoretic Perspective on the Utterance Selection Model for Language Change
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A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography
Ingår i Crystals, 2020.
DOI för A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography Ladda ner fulltext (pdf) av A Perspective on Molecular Structure and Bond-Breaking in Radiation Damage in Serial Femtosecond Crystallography
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Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys
Ingår i Computational materials science, 2020.
DOI för Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys
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Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals
Ingår i Physical Review Research, 2020.
DOI för Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals Ladda ner fulltext (pdf) av Analysis of the linear relationship between asymmetry and magnetic moment at the M edge of 3d transition metals
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Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices
Ingår i Journal of High Energy Physics (JHEP), 2020.
DOI för Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices Ladda ner fulltext (pdf) av Anisotropic destruction of the Fermi surface in inhomogeneous holographic lattices
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Anomalous Effect of Quantum Interference in Organic Spin Filters
Ingår i The Journal of Physical Chemistry C, s. 24361-24371, 2020.
DOI för Anomalous Effect of Quantum Interference in Organic Spin Filters
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Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures
Ingår i Physical Review Research, 2020.
DOI för Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures Ladda ner fulltext (pdf) av Atomic resolution energy-loss magnetic chiral dichroism measurements enabled by patterned apertures
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Damas, Giane B.
Atomic Scale Modelling in Photoelectrocatalysis: Towards the Development of Efficient Materials for Solar Fuel Production
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Naqvi, S. Rabab
Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications
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Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance
Ingår i Computational materials science, 2020.
DOI för Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance Ladda ner fulltext (pdf) av Bulk and monolayer As2S3 as promising thermoelectric material with high conversion performance
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Capacity enhancement of polylithiated functionalized boron nitride nanotubes: an efficient hydrogen storage medium
Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 15675-15682, 2020.
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Carbides-anti-perovskites Mn3(Sn, Zn)C: Potential candidates for an application in magnetic refrigeration
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2020.
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Charge density waves beyond the Pauli paramagnetic limit in 2D systems
Ingår i Journal of Applied Physics, 2020.
DOI för Charge density waves beyond the Pauli paramagnetic limit in 2D systems
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Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands
Ingår i The Journal of Physical Chemistry C, s. 27185-27193, 2020.
DOI för Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands Ladda ner fulltext (pdf) av Chemical Switching of the Magnetic Coupling in a MnPc Dimer by Means of Chemisorption and Axial Ligands
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Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory
Ingår i Physical Review Letters, 2020.
DOI för Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory Ladda ner fulltext (pdf) av Coexistence of Superconductivity and Charge Density Waves in Tantalum Disulfide: Experiment and Theory
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Coherent modulation of the electron temperature and electron-phonon couplings in a 2D material
Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 8788-8793, 2020.
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Comment on "Quantum interference effects in biphenyl dithiol for gas detection" by J. Prasongkit and A. R. Rocha, RSC Adv., 2016, 64, 59299-59304
Ingår i RSC Advances, s. 2073-2074, 2020.
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Computational screening of Fe-Ta hard magnetic phases
Ingår i Physical Review B, 2020.
DOI för Computational screening of Fe-Ta hard magnetic phases
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Core-shell nanostructures: perspectives towards drug delivery applications
Ingår i Journal of materials chemistry. B, s. 8992-9027, 2020.
DOI för Core-shell nanostructures: perspectives towards drug delivery applications
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Critical assessment of Co-Cu phase diagram from first-principles calculations
Ingår i Physical Review B, 2020.
DOI för Critical assessment of Co-Cu phase diagram from first-principles calculations Ladda ner fulltext (pdf) av Critical assessment of Co-Cu phase diagram from first-principles calculations
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Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen
Ingår i MATTER AND RADIATION AT EXTREMES, 2020.
DOI för Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen Ladda ner fulltext (pdf) av Crystallography of low Z material at ultrahigh pressure: Case study on solid hydrogen
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Density functional investigations on the adsorption characteristics of nucleobases on germanene nanoribbons
Ingår i Physica. E, Low-Dimensional systems and nanostructures, 2020.
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Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory
Ingår i Scientific Reports, 2020.
DOI för Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory Ladda ner fulltext (pdf) av Detecting quantum critical points in the t-t ' Fermi-Hubbard model via complex network theory
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Detecting superconductivity out of equilibrium
Ingår i Physical Review B, 2020.
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Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results
Ingår i Physical Review B, 2020.
DOI för Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results Ladda ner fulltext (pdf) av Dimensional crossover and phase transitions in coupled chains: Density matrix renormalization group results
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Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation
Ingår i Science Advances, 2020.
DOI för Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation Ladda ner fulltext (pdf) av Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation
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Direct Writing of Lateral Fluorographene Nanopatterns with Tunable Bandgaps and Its Application in New Generation of Moiré Superlattice
Ingår i Applied Physics Reviews, 2020.
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Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron
Ingår i Acta Materialia, s. 43-50, 2020.
DOI för Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron Ladda ner fulltext (pdf) av Dissociated dislocation-mediated carbon transport and diffusion in austenitic iron
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Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys
Ingår i Acta Materialia, s. 174-187, 2020.
DOI för Ductile and brittle crack-tip response in equimolar refractory high-entropy alloys
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Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents
Ingår i The Journal of Physical Chemistry C, s. 13609-13617, 2020.
DOI för Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents Ladda ner fulltext (pdf) av Effect of Cycling Ion and Solvent on the Redox Chemistry of Substituted Quinones and Solvent-Induced Breakdown of the Correlation between Redox Potential and Electron-Withdrawing Power of Substituents
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Effect of polaron formation on electronic, charge and magnetic properties of Nb12O29
Ingår i Journal of Alloys and Compounds, 2020.
DOI för Effect of polaron formation on electronic, charge and magnetic properties of Nb12O29
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Efficient and Versatile Model for Vibrational STEM-EELS
Ingår i Physical Review Letters, 2020.
DOI för Efficient and Versatile Model for Vibrational STEM-EELS
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Electrical and thermal transport properties of Fe-Ni based ternary alloys in the earth's inner core: An ab initio study
Ingår i Physics of the Earth and Planetary Interiors, 2020.
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Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
Ingår i Nanoscale, s. 18289-18295, 2020.
DOI för Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore Ladda ner fulltext (pdf) av Electrically sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore
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Electronic and optical properties of a structural defect in 2D MgF2 monolayer
Ingår i 3rd international conference on condensed matter & applied physics (ICC-2019), 2020.
DOI för Electronic and optical properties of a structural defect in 2D MgF2 monolayer
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Electronic structure and dynamic properties of two-dimensional W x Mo 1?: x S 2 ternary alloys from first -principles calculations
Ingår i Computational materials science, 2020.
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Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe
Ingår i Physical Review B, 2020.
DOI för Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe Ladda ner fulltext (pdf) av Eliashberg theory for spin fluctuation mediated superconductivity: Application to bulk and monolayer FeSe
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Elucidating hydrogen storage properties of two-dimensional siligraphene (SiC8) monolayers upon selected metal decoration
Ingår i Sustainable Energy & Fuels, s. 5578-5587, 2020.
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Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure
Ingår i Journal of Materials Chemistry C, s. 16392-16403, 2020.
DOI för Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure Ladda ner fulltext (pdf) av Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure
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Emerging piezochromism in transparent lead free perovskite Rb3X2I9 (X=Sb, Bi) under compression: A comparative theoretical insight
Ingår i Journal of Applied Physics, 2020.
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Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field
Ingår i International journal of hydrogen energy, s. 12384-12393, 2020.
DOI för Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field Ladda ner fulltext (pdf) av Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field
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Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study
Ingår i Applied Surface Science, 2020.
DOI för Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study Ladda ner fulltext (pdf) av Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study
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Examination of the Magnetic Properties of the Triangular Type Mixed spin-(1/2,1) Nanowire
Ingår i Journal of Superconductivity and Novel Magnetism, s. 817-824, 2020.
DOI för Examination of the Magnetic Properties of the Triangular Type Mixed spin-(1/2,1) Nanowire
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Excitonic effects in the optoelectronic properties of graphene-like BC monolayer
Ingår i Optical materials (Amsterdam), 2020.
DOI för Excitonic effects in the optoelectronic properties of graphene-like BC monolayer
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Exploring the Degradation Behavior of Ce-Monazite in Water Solution through Adsorption and Penetration Kinetics
Ingår i The Journal of Physical Chemistry C, s. 22173-22184, 2020.
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Exploring the Possibility of beta-Phase Arsenic-Phosphorus Polymorph Monolayer as Anode Materials for Sodium-Ion Batteries
Ingår i Advanced Theory and Simulations, 2020.
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Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion
Ingår i Journal of Physics B, 2020.
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Fe-porphyrin on Co(001) and Cu(001): A Comparative Dispersion-augmented Density Functional Theory Study
Ingår i Israel Journal of Chemistry, s. 870-875, 2020.
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Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals
Ingår i Physical Review B, 2020.
DOI för Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals Ladda ner fulltext (pdf) av Finite bulk Josephson currents and chirality blockade removal from interorbital pairing in magnetic Weyl semimetals
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First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage
Ingår i RESULTS IN PHYSICS, 2020.
DOI för First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage Ladda ner fulltext (pdf) av First-principles calculations into LiAl(NH2)(4) and its derivative hydrides for potential sodium storage
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First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
Ingår i Scientific Reports, 2020.
DOI för First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework Ladda ner fulltext (pdf) av First-principles Dzyaloshinskii-Moriya interaction in a non-collinear framework
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First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters
Ingår i Nanomaterials, 2020.
DOI för First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters Ladda ner fulltext (pdf) av First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters
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First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys
Ingår i Scripta Materialia, s. 140-143, 2020.
DOI för First-principles study of the Σ3(112) grain boundary in Fe-rich Fe-Cr alloys
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Formation of spatial patterns by spin-selective excitations of interacting fermions
Ingår i Physical Review B, 2020.
DOI för Formation of spatial patterns by spin-selective excitations of interacting fermions Ladda ner fulltext (pdf) av Formation of spatial patterns by spin-selective excitations of interacting fermions
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Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation
Ingår i Physical Review B, 2020.
DOI för Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation Ladda ner fulltext (pdf) av Full-bandwidth Eliashberg theory of superconductivity beyond Migdal's approximation
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g-C3N4/WTe2 Hybrid Electrocatalyst for Efficient Hydrogen Evolution Reaction
Ingår i The Journal of Physical Chemistry C, s. 8726-8735, 2020.
DOI för g-C3N4/WTe2 Hybrid Electrocatalyst for Efficient Hydrogen Evolution Reaction
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Generalization properties of neural network approximations to frustrated magnet ground states
Ingår i Nature Communications, 2020.
DOI för Generalization properties of neural network approximations to frustrated magnet ground states Ladda ner fulltext (pdf) av Generalization properties of neural network approximations to frustrated magnet ground states
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Generic Optical Excitations of Correlated Systems: pi-tons
Ingår i Physical Review Letters, 2020.
DOI för Generic Optical Excitations of Correlated Systems: pi-tons
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Green synthesized MgO nanoparticles infer biocompatibility by reducing in vivo molecular nanotoxicity in embryonic zebrafish through arginine interaction elicited apoptosis
Ingår i Science of the Total Environment, 2020.
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Hierarchy of magnon mode entanglement in antiferromagnets
Ingår i Physical Review B Condensed Matter, 2020.
DOI för Hierarchy of magnon mode entanglement in antiferromagnets Ladda ner fulltext (pdf) av Hierarchy of magnon mode entanglement in antiferromagnets
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High Curie temperature in halfmetallic ferromagnets (Zn, Cr, Ti)Se and (Zn, Cr, Ti)Te for spintronic devices: Ab initio and Monte Carlo treatments
Ingår i Materials Science & Engineering, 2020.
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High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first-principles molecular dynamics
Ingår i Applied Surface Science, 2020.
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High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)
Ingår i ACS Applied Materials and Interfaces, s. 46212-46219, 2020.
DOI för High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te) Ladda ner fulltext (pdf) av High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)
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Highly Energetic and Stable Gadolinium/Bismuth Molybdate with a Fast Reactive Species, Redox Mechanism of Aqueous Electrolyte
Ingår i ACS Applied Energy Materials, s. 12385-12399, 2020.
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Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer
Ingår i Nanomaterials, 2020.
DOI för Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer Ladda ner fulltext (pdf) av Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer
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Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances
Ingår i Physical Review B, 2020.
DOI för Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances Ladda ner fulltext (pdf) av Highly tunable magnetic coupling in ultrathin topological insulator films due to impurity resonances
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High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO2 nanotube arrays as interactive supports for Ir nanoparticles
Ingår i Journal of Materials Chemistry A, s. 22773-22790, 2020.
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High-Pressure Synthesis of Magnetic Neodymium Polyhydrides
Ingår i Journal of the American Chemical Society, s. 2803-2811, 2020.
DOI för High-Pressure Synthesis of Magnetic Neodymium Polyhydrides
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High-throughput and data-mining approach to predict new rare-earth free permanent magnets
Ingår i Physical Review B, 2020.
DOI för High-throughput and data-mining approach to predict new rare-earth free permanent magnets Ladda ner fulltext (pdf) av High-throughput and data-mining approach to predict new rare-earth free permanent magnets
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Hydrogen storage characteristics of Li and Na decorated 2D boron phosphide
Ingår i Sustainable Energy & Fuels, s. 4538-4546, 2020.
DOI för Hydrogen storage characteristics of Li and Na decorated 2D boron phosphide
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Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization
Ingår i Physical Review B, 2020.
DOI för Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization Ladda ner fulltext (pdf) av Identification of topological superconductivity in magnetic impurity systems using bulk spin polarization
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Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials
Ingår i Catalysis Science & Technology, s. 3279-3289, 2020.
DOI för Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials Ladda ner fulltext (pdf) av Impact of edge structures on interfacial interactions and efficient visible-light photocatalytic activity of metal-semiconductor hybrid 2D materials
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Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency
Ingår i Materials Today Energy, 2020.
DOI för Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency Ladda ner fulltext (pdf) av Influence of Kubas-type interaction of B-Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency
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Influence of Sodium Iodide doped polypyrrole on green synthesized aluminum doped ZnO for the enhanced charge separation at the interface
Ingår i Optical materials (Amsterdam), 2020.
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Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects
Ingår i Physical Review B, 2020.
DOI för Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects Ladda ner fulltext (pdf) av Interlayer Charge Transfer in Tin Disulphide: Orbital Anisotropy and Temporal Aspects
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Interplay of charge density wave and multiband superconductivity in layered quasi-two-dimensional materials: The case of 2H-NbS2 and 2H-NbSe2
Ingår i Physical Review Materials, 2020.
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Investigating CO2 storage properties of C2N monolayer functionalized with small metal clusters
Ingår i Journal of CO2 Utilization, s. 1-13, 2020.
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Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS2 Monolayer
Ingår i Nano letters (Print), s. 6372-6380, 2020.
DOI för Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS2 Monolayer Ladda ner fulltext (pdf) av Large Damping-Like Spin–Orbit Torque in a 2D Conductive 1T-TaS2 Monolayer
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Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity
Ingår i NPJ QUANTUM MATERIALS, 2020.
DOI för Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity Ladda ner fulltext (pdf) av Large Josephson current in Weyl nodal loop semimetals due to odd-frequency superconductivity
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Large pressure-induced magnetoresistance in a hybrid ferromagnet-semiconductor system: Effect of matrix modification on the spin-dependent scattering
Ingår i Journal of Applied Physics, 2020.
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Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study
Ingår i Journal of Materials Science, s. 12488-12498, 2020.
DOI för Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study Ladda ner fulltext (pdf) av Local structure in amorphous SmxCo1-x: a combined experimental and theoretical study
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Localized surface electromagnetic waves in CrI3-based magnetophotonic structures
Ingår i Optics Express, s. 29155-29165, 2020.
DOI för Localized surface electromagnetic waves in CrI3-based magnetophotonic structures
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Localized versus itinerant character of 4f-states in cerium oxides
Ingår i Journal of Physics, 2020.
DOI för Localized versus itinerant character of 4f-states in cerium oxides
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Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization
Ingår i ACS Nano, s. 16624-16633, 2020.
DOI för Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization Ladda ner fulltext (pdf) av Long-Range Spin-Selective Transport in Chiral Metal-Organic Crystals with Temperature-Activated Magnetization
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Luttinger liquid properties from tensor network data
Ingår i Physical Review B, 2020.
DOI för Luttinger liquid properties from tensor network data
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Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys
Ingår i Physical Review Materials, 2020.
DOI för Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys Ladda ner fulltext (pdf) av Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys
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Magnetic force fields of isolated small nanoparticle clusters
Ingår i Nanoscale, s. 1842-1851, 2020.
DOI för Magnetic force fields of isolated small nanoparticle clusters
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Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors
Ingår i Physical Review Materials, 2020.
DOI för Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors Ladda ner fulltext (pdf) av Magnetic two-dimensional electron liquid at the surface of Heusler semiconductors
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Manipulation of Electronic and Magnetic Properties of 3d Transition Metal (Cr, Mn, Fe) Hexamers on Graphene with Vacancy Defects: Insights from First-Principles Theory
Ingår i The Journal of Physical Chemistry C, s. 4270-4278, 2020.
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Metal-functionalized 2D boron sulfide monolayer material enhancing hydrogen storage capacities
Ingår i Journal of Applied Physics, 2020.
DOI för Metal-functionalized 2D boron sulfide monolayer material enhancing hydrogen storage capacities Ladda ner fulltext (pdf) av Metal-functionalized 2D boron sulfide monolayer material enhancing hydrogen storage capacities
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Lima de Jesus Silva, Jose Luis
Modelling and Simulation of Electro-catalysts for Green Energy: From Solvated Complexes to Solid-Liquid Interfaces
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Molecules versus Nanoparticles: Identifying a Reactive Molecular Intermediate in the Synthesis of Ternary Coinage Metal Chalcogenides
Ingår i Inorganic Chemistry, s. 7727-7738, 2020.
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Monopole Field Textures in Interacting Spin Systems
Ingår i Physical Review A. Atomic, Molecular, and Optical Physics, 2020.
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Multichannel superconductivity of monolayer FeSe on SrTiO3: Interplay of spin fluctuations and electron-phonon interaction
Ingår i Physical Review B, 2020.
DOI för Multichannel superconductivity of monolayer FeSe on SrTiO3: Interplay of spin fluctuations and electron-phonon interaction Ladda ner fulltext (pdf) av Multichannel superconductivity of monolayer FeSe on SrTiO3: Interplay of spin fluctuations and electron-phonon interaction
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Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter
Ingår i Physical Review Research, 2020.
DOI för Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter Ladda ner fulltext (pdf) av Multiscale approach for magnetization dynamics: unraveling exotic magnetic states of matter
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Multiscale structural complexity of natural patterns
Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. 30241-30251, 2020.
DOI för Multiscale structural complexity of natural patterns