Computational investigation of the co-doping effect of sulphur and nitrogen on the electronics of CsTaWO6

CsTaWO6 is a typical AMWO6-type compound and the photocatalysis of the pure and doped phases has been extensively studied experimentally. In this work, the electronic structures of sulphur (S) and nitrogen (N) co-doped CsTaWO6 have been studied in the framework of density functional theory, in parti...

Full description

Bibliographic Details

Published in:	Journal of Materiomics
Main Authors:	Liuxie Liu, Laicai Li, Quan Li, Chenghua Sun
Format:	Article
Language:	English
Published:	Elsevier 2017-03-01
Subjects:	CsTaWO6 Doping Photocatalysis Density functional theory
Online Access:	http://www.sciencedirect.com/science/article/pii/S2352847816300995