Adsorption of O2 on TiO2(110): A theoretical study
作者： Chutian Shu , N. Sukumar , C. P. Ursenbach
DOI: 10.1063/1.478985
关键词:
摘要: First-principles calculations are carried out with the objective of assigning a chemical identity to variety forms molecular oxygen which known exist on TiO2(110) surface. Six different geometries and spin configurations O2 shown be stable in bridging defect site. The relationship these results experimental observations is discussed.
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