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Photoinduced Charge Transfer from Titania to Surface Doping Site
We evaluate a theoretical model in which Ru is substituting for Ti at the (100) surface of anatase TiO(2). Charge transfer from the photo-excited TiO(2) substrate to the catalytic site triggers the photo-catalytic event (such as water oxidation or reduction half-reaction). We perform ab-initio compu...
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| Main Authors: | , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
2013
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3688295/ https://ncbi.nlm.nih.gov/pubmed/23795229 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp311076w |
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