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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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Detalles Bibliográficos
Autores principales:	Oprea, Corneliu I, Panait, Petre, Gîrţu, Mihai A
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Beilstein-Institut 2014
Materias:	Full Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4143121/ https://www.ncbi.nlm.nih.gov/pubmed/25161837 http://dx.doi.org/10.3762/bjnano.5.115

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