Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface
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...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2009-04, Vol.11 (13), p.2156-2160 |
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| container_issue | 13 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | NOLAN, Michael MULLEY, James S BENNETT, Roger A |
| description | 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. |
| doi_str_mv | 10.1039/b819724e |
| format | Article |
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| fulltext | fulltext |
| identifier | ISSN: 1463-9076 |
| ispartof | Physical chemistry chemical physics : PCCP, 2009-04, Vol.11 (13), p.2156-2160 |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Chemistry Exact sciences and technology General and physical chemistry Surface physical chemistry |
| title | Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface |
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