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Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface

By Michael Nolan, James S. Mulley and Roger A. Bennett

Abstract

The rutile TiO2(110) surface has been doped with sub-monolayer metallic Cr, which oxidises and donates charge to specific surface Ti ions. X-Ray and ultra violet photoemission spectroscopy and first principles density functional theory with Hubbard U are used to assign the oxidation states of Cr and surface Ti and we find that Cr2+ forms on bridging oxygen ions and a 5-fold coordinated surface Ti atom is reduced to Ti3+ and the Cr ions readily react with oxygen (to Cr3+), which leads to depletion of surface Ti3+ 3d electrons

Publisher: Royal Society of Chemistry
Year: 2009
OAI identifier: oai:centaur.reading.ac.uk:16777
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