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- Tianjin UniversityCN14 papers
- Beijing Institute of TechnologyCN4 papers
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- State Key Laboratory of Explosion Science and Safety ProtectionCN4 papers
- Chinese Academy of Medical Sciences & Peking Union Medical CollegeCN3 papers
- Nankai UniversityCN3 papers
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- National University of SingaporeSG2 papers
- North China Institute of Aerospace EngineeringCN2 papers
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4 papers · 1 filter
Electronic and optical properties of C-N-codoped TiO2: A first-principles GGA+U investigation
Meili Guo, Jiulin Du
Electronic structures and optical properties of C-N-codoped anatase TiO2 were calculated by using GGA+U method based on the density functional theory. The calculated results showed…
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…
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)…
Electronic structure and enhanced visible light absorption of N, B-codoped TiO2
Meili Guo, Xiao-Dong Zhang, Jiulin Du
We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B)…