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
Journal of Catalysis 357, 176 (2018)
Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV-Vis and mass spectrometry and DFT
The Journal of Physical Chemistry Letters 9, 170 (2018)
Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211)
ACS Applied Materials & Interfaces 8, 24983 (2016)
Layer-by-layer assembled films of perylene diimide- and squaraine-containing metal-organic framework-like materials: solar energy capture and directional energy transfer
Journal of Materials Chemistry A 3, 7710 (2015)
Improved hydrogen storage in Ca-decorated boron heterofullerenes: A theoretical study
Chemical Science 6, 885 (2015)
Computational design of molecules for an all-quinone redox flow battery