Rajeev Ahuja
0000-0003-1231-9994
15 papers found
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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
Reaction coordinate mapping of hydrogen evolution mechanism on Mg3N2 monolayer
Structure-based drug designing and immunoinformatics approach for SARS-CoV-2
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
Li-decorated carbyne for hydrogen storage: charge induced polarization and van't Hoff hydrogen desorption temperature
Emerging piezochromism in lead free alkaline earth chalcogenide perovskite AZrS3 (A = Mg, Ca, Sr and Ba) under pressure
Rashba Triggered Electronic and Optical Properties Tuning in Mixed Cation–Mixed Halide Hybrid Perovskites
Cesium Bismuth Iodide Solar Cells from Systematic Molar Ratio Variation of CsI and BiI3
Li-Functionalized Carbon Nanotubes for Hydrogen Storage: Importance of Size Effects
Ab initio study of a 2D h-BAs monolayer: a promising anode material for alkali-metal ion batteries
Probing the active sites of newly predicted stable Janus scandium dichalcogenides for photocatalytic water-splitting
Interfacial aspect of ZnTe/In2Te3 heterostructures as an efficient catalyst for the hydrogen evolution reaction
Scrupulous Probing of Bifunctional Catalytic Activity of Borophene Monolayer: Mapping Reaction Coordinate with Charge Transfer
Current computational trends in polyanionic cathode materials for Li and Na batteries
New Concept on Photocatalytic Degradation of Thiophene Derivatives: Experimental and DFT Studies
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