34 citations · 67 across the 7 of their papers we have counts for
7 papers
Adsorption and dissociation of HO monomer on ceria(111): Density functional theory calculations
Shuang-Xi Wang, Ping Zhang, Shu-Shen Li
The adsorption properties of isolated HO molecule on stoichiometric and reduced (with on-surface oxygen vacancy) ceria(1111) surfaces at low coverage are theoretically invest…
First-principles study of native point defects in topological insulator BiSe
Shuang-Xi Wang, Ping Zhang, Shu-Shen Li
The \emph{p}-type BiSe is much desirable as a promising thermoelectric material and topological insulator, while the naturally grown BiSe is always \emph{n}…
Topological properties of Sb(111) surface: A density functional theory study
Shuang-Xi Wang, Ping Zhang, Shu-Shen Li
By using first-principles plane wave calculations, we systematically study the electronic properties of the thin film of antimony in (111) orientation. Considering the spin-orbit i…
Adsorption and dissociation of water on Zr(0001) with density-functional theory studies
Shuang-Xi Wang, Ping Zhang, Peng Zhang +2
The adsorption and dissociation of isolated water molecule on Zr(0001) surface are theoretically investigated for the first time by using density-functional theory calculations. Tw…
Adsorption and diffusion of H2O molecule on the Be(0001) surface: A density-functional theory study
Shuang-Xi Wang, Peng Zhang, Jian Zhao +2
Using first-principles calculations, we systematically study the adsorption behavior of a single molecular HO on the Be(0001) surface. We find that the favored molecular adso…
Magnetic quantum oscillations of the topological insulator surface states
Zhigang Wang, Zhen-Guo Fu, Shuang-Xi Wang +1
We study quantum oscillations of the magnetization in BiSe(111) surface system in the presence of a perpendicular magnetic field. The combined spin-chiral Dirac cone an…