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...

Descripción completa

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

Internet

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

Ejemplares similares