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Oxygen vacancy effects on the Schottky barrier height at the Au/TiO2(110) interface: A first principle study

机译:Oxygen vacancy effects on the Schottky barrier height at the Au/TiO2(110) interface: A first principle study

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摘要

Motivated by the pioneering work of McFarland and Tang on multilayer photovoltaic devices, we discusshere structural and electronic properties of the Au/TiO2(110) interface for a coverage of 1 monolayer(1 ML) of gold, both for a stoichiometric and a reduced (Ti-rich) rutile surface. A detailed analysis of theSchottky barrier height for such systems is presented and the effects generated on this barrier by thepresence of an oxygen vacancy (localized on the rutile support) are discussed.

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