Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide and Zinc Oxide: First-Principles Approach


Autoria(s): Zhukov, V. P.; Tyuterev, V. G.; Tchoulkov Savkin, Evgueni Vladimirovich; Echenique Landiribar, Pedro Miguel
Data(s)

04/04/2016

04/04/2016

2014

Resumo

First-principles calculations for the temporal characteristics of hole-phonon relaxation in the valence band of titanium dioxide and zinc oxide have been performed. A first-principles method for the calculations of the quasistationary distribution function of holes has been developed. The results show that the quasistationary distribution of the holes in TiO2 extends to an energy level approximately 1eV below the top of the valence band. This conclusion in turn helps to elucidate the origin of the spectral dependence of the photocatalytic activity of TiO2. Analysis of the analogous data for ZnO shows that in this material spectral dependence of photocatalytic activity in the oxidative reactions is unlikely.

Identificador

International Journal of Photoenergy 2014 : (2014) // Article ID 738921

1110-662X

1687-529X

http://hdl.handle.net/10810/17775

10.1155/2014/738921

Idioma(s)

eng

Publicador

Hindawi Publishing

Relação

http://www.hindawi.com/journals/ijp/2014/738921/abs/

Direitos

© 2014 V. P. Zhukov et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

info:eu-repo/semantics/openAccess

Palavras-Chave #transient absorption-spectrocospy #electron-transfer reactions #gratting technique #photon energy #ab-initio #TIO2 #dynamics #nanoparticles #interfaces #metals
Tipo

info:eu-repo/semantics/article