150 citations
- Nankai UniversityCN19 papers
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Showing 2012 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2012★ 31 cited
Electronic and optical properties of Ti_{1-x}Cd_xO2: A first-principles prediction
X. D. Zhang, M. L. Guo, C. L. Liu +2
A first-principles study has been carried out to evaluate the electronic and optical properties of rutile Ti1-xCdxO2 as a possible photocatalytic material. It was found that Cd inc…
cond-mat.mtrl-sci2012★ 149 cited
First-principles study of electronic and optical properties in wurtzite Zn_{1-x}Cd_xO
X. D. Zhang, M. L. Guo, W. X. Li +1
A first-principles study has been performed to evaluate the electronic and optical properties of wurtzite Zn1-xCdxO up to x=0.25. We have employed the Perdew-Burke-Ernzerhof (PBE)…