95 citations · 287 across the 23 of their papers we have counts for
5 papers · 2 filters
Dissociation of hydrogen molecules on the clean and hydrogen-preadsorbed Be(0001) surface
Yanfang Li, Yu Yang, Bo Sun +2
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes for hydrogen molecules on the clean and hydrogen-preadsorbed B…
Rotation of hydrogen molecules during the dissociative adsorption on the Mg(0001) surface: A first-principles study
Yanfang Li, Yu Yang, Bo Sun +3
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes of the hydrogen molecule on the Mg(0001) surface. It is found…
Structures and magnetic properties of ZnO nanoislands
Yu Yang, Ping Zhang
Using first-principles calculations, we systematically study the atomic structures and electronic properties for two dimensional triangular ZnO nanoislands that are graphite-like w…
Activated molecular adsorption of CO on the Be (0001) surface: A density-functional theory study
Shuang-Xi Wang, Yu Yang, Bo Sun +3
Using first-principles calculations, we systematically study the adsorption behaviors of molecular CO on the Be (0001) surface. By calculating the potential energy surfaces, we fin…
Atomic hydrogen adsorption and incipient hydrogenation of the Mg(0001) surface: A density-functional theory study
Yanfang Li, Ping Zhang, Bo Sun +2
We investigate the atomic hydrogen adsorption on Mg(0001) by using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage de…