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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2017-03-01
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| Series: | Journal of Materiomics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352847816300995 |