50 citations · 172 across the 12 of their papers we have counts for
12 papers
Quantum size effect on the dissociation of O2 molecules on ultrathin Pb(111) films
Ziyu Hu, Yu Yang, Bo Sun +5
Using first-principles calculations, we systematically study the dissociation of O molecules on different ultrathin Pb(111) films. Based on our previous work revealing the mole…
Quantum oscillations in adsorption energetics of atomic oxygen on Pb(111) ultrathin films: A density-functional theory study
Ziyu Hu, Yu Yang, Bo Sun +3
Using first-principles calculations, we have systematically studied the quantum size effects of ultrathin Pb(111) films on the adsorption energies and diffusion energy barriers of…
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…
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…
Mechanical and chemical bonding properties of ground state BeH
Bao-Tian Wang, Ping Zhang, Hongliang Shi +2
The crystal structure, mechanical properties and electronic structure of ground state BeH are calculated employing the first-principles methods based on the density functiona…