Henan
China
Henan Normal University
2D materials, Transition metal dichalcogenides (TMDs) alloys, MoxW1-xS2, MoS2xSe2(1-x), First-principles calculations
Density functional theory, β12 borophene, 3d transition metal, Doping, Magnetic properties
density functional theory calculation, nitrogen reduction reaction, single-atom catalysts, hydrogen evolution reaction
Graphene, Density functional theory, Ti-doped, Fe-doped, Ni-doped
2D materials, Schottky contact, Ohmic contact, Field effect transistors, vdWHs, First-principles calculations
CdS/SiI2, photocatalyst, heterostructure, recombination
2D Materials, First-principles calculations, penta-SiC2, penta-BP5, SiC2/BP5 heterostructure
GaN/BS heterostructure, Direct Z-scheme photocatalysts, First-principles calculations, photocatalytic water splitting, solar-to-hydrogen efficiency
vdWHs, 2D materials, First-principles calculations, electronic properties, optical properties, band alignment
