Photooxidation of molecules involves both surface and electronic properties of a semiconducting catalyst. Here, we investigate the photoreduction of O$_2$ molecules on the perfect and defective (i.e., with oxygen vacancies) (100) anatase surface by treating molecules on the surface like defects. Our results give a novel evidence of the acceptor behavior of the O$_2$ molecule and reveal a central role of the vacancies in the photoreduction process.

Role of oxygen vacancies in the O2 photoreduction at the (100) TiO2 (anatase) surface

Amore Bonapasta A;Filippone F
2005

Abstract

Photooxidation of molecules involves both surface and electronic properties of a semiconducting catalyst. Here, we investigate the photoreduction of O$_2$ molecules on the perfect and defective (i.e., with oxygen vacancies) (100) anatase surface by treating molecules on the surface like defects. Our results give a novel evidence of the acceptor behavior of the O$_2$ molecule and reveal a central role of the vacancies in the photoreduction process.
2005
Istituto di Struttura della Materia - ISM - Sede Roma Tor Vergata
TiO2 DFT
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/137126
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