155 citations
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cond-mat.mtrl-sci2008★ 155 cited
Density functional study of oxygen vacancies at the SnO2 surface and subsurface sites
F. Trani, M. Causa', D. Ninno +2
Oxygen vacancies at the SnO2(110) and (101) surface and subsurface sites have been studied in the framework of density functional theory by using both all-electron Gaussian and pse…
cond-mat.mtrl-sci2005★ 42 cited
High-pressure phase diagram of the exp-6 model: The case of Xenon
Franz Saija, Santi Prestipino
We investigated numerically the high-temperature/high-pressure phase diagram of Xenon as modelled through the exp-6 interaction potential, which is thought to provide a reliable de…