DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2 nanocluster: Application to photocatalytic degradation under visible light irradiation

DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2 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 TiO2 nanocluster, in order to explain experimental results regarding the photocatalytic degradation of these pollutants under visible light irradiation. Based on our modeling, we are ab...

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Bibliographic Details
Main Authors: Corneliu I. Oprea, Petre Panait, Mihai A. Gîrţu
Format: Article
Language:English
Published: Beilstein-Institut 2014-07-01
Series:Beilstein Journal of Nanotechnology
Subjects:
colorless aromatic pollutants
density functional theory
photocatalytic degradation
titanium dioxide
visible light irradiation
Online Access:https://doi.org/10.3762/bjnano.5.115

Internet

https://doi.org/10.3762/bjnano.5.115

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