11 citations · 26 across the 4 of their papers we have counts for
4 papers
Influences of Al doping on the electronic structure of Mg(0001) and dissociation property of H2
Yanfang Li, Yu Yang, Yinghui Wei +1
By using the density functional theory method, we systematically study the influences of the doping of an Al atom on the electronic structures of the Mg(0001) surface and dissociat…
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…
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…