International Journal of Hydrogen Energy 44, 16803 (2019)
Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study
Analysis of DFT calculated reaction energies for CO bonding and dissociation on metal alloy surfaces.
Analysis of DFT calculated reaction energies for H2 dissociation on metal alloy surfaces
Analysis of DFT calculated reaction energies for N2 dissociation on metal alloy surfaces
A data-driven approach for the prediction of electronic energy levels of 2D materials
Computational study of lateral two-dimensional transition metal dichalcogenides
A systematic density functional theory study of structural and electronic properties of two dimensional metal disulfides
International Journal of Hydrogen Energy 43, 21441 (2018)
Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study