Peer-Reviewed Journal Details
Mandatory Fields
Nolan, M;Mulley, JS;Bennett, RA
2009
January
Physical Chemistry Chemical Physics
Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface
Validated
WOS: 10 ()
Optional Fields
ELECTRONIC-STRUCTURE THIN-FILMS EPITAXIAL-GROWTH GAS SENSOR CHROMIUM TIO2 OXIDES OXYGEN XPS SPECTROSCOPY
11
2156
2160
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.
CAMBRIDGE
1463-9076
10.1039/b819724e
Grant Details