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Disputation: Defect Thermodynamics and Kinetics in Polyanionic Cathodes: A Theoretical Roadmap for Na-ion based Batteries and Hybrid Supercapacitors
Disputation: Water Splitting Mechanism on 2D Catalytic Materials: DFT based Theoretical Investigations
In this thesis, we have envisaged systematic investigation to predict the water splitting mechanism on ultra-thin two-dimensional (2D) materials using cutting edge computation.