1 citations · 1 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2019★ 1 cited
Stability of Hydride Anions in Reduced Ceria Studied by Density Functional Theory
Xiaoke Li, Joachim Paier, Joachim Sauer
Recently, the hydrogen adsorption and diffusion on the CeO2 (111) surface have been a vividly discussed topic because of its outstanding catalytic activity and selectivity in hydro…
cond-mat.mtrl-sci2013
Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO (100)
Norina A. Richter, Sabrina Sicolo, Sergey V. Levchenko +2
We investigate effects of doping on formation energy and concentration of oxygen vacancies at a metal oxide surface, using MgO (100) as an example. Our approach employs density-fun…