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DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO(2) nanocluster: Application to photocatalytic degradation under visible light irradiation
We report results of density functional theory (DFT) calculations on some colorless aromatic systems adsorbed on a TiO(2) nanocluster, in order to explain experimental results regarding the photocatalytic degradation of these pollutants under visible light irradiation. Based on our modeling, we are...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Beilstein-Institut
2014
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4143121/ https://ncbi.nlm.nih.gov/pubmed/25161837 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.5.115 |
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