Phys. Chem. Chem. Phys., 2015, 17,23265-23272
DOI: 10.1039/C5CP03290C, Paper
DOI: 10.1039/C5CP03290C, Paper
Jiajia Wang, Aibin Ma, Zhaosheng Li, Jinghua Jiang, Jianyong Feng, Zhigang Zou
DFT calculations were performed to study Ta3N5(100), (010) and (001) surfaces with oxygen impurities and nitrogen vacancies. The effects of oxygen impurities and nitrogen vacancies on the surface stability and electronic structures of Ta3N5 surfaces were put forward.
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DFT calculations were performed to study Ta3N5(100), (010) and (001) surfaces with oxygen impurities and nitrogen vacancies. The effects of oxygen impurities and nitrogen vacancies on the surface stability and electronic structures of Ta3N5 surfaces were put forward.
The content of this RSS Feed (c) The Royal Society of Chemistry