95 citations · 287 across the 23 of their papers we have counts for
Showing 2009 · physics.chem-phShow all
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physics.chem-ph2009★ 7 cited
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…
physics.chem-ph2009★ 11 cited
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…
physics.chem-ph2009★ 7 cited
Activated dissociation of O2 on Pb(111) surfaces by Pb adatoms
Yu Yang, Jia Li, Zhirong Liu +8
We investigate the dissociation of O2 on Pb(111) surface using first-principles calculations. It is found that in a practical high-vacuum environment, the adsorption of molecular O…