Anomalous photodegradation response of Ga, N codoped TiO2under visible light irradiations: An interplay between simulations and experiments
文献类型：期刊论文
| 作者 | Khan, Matiullah1,2; Yi, Zeng1,3; Gul, Sahar Ramin1,4; Fawad, U.2; Muhammad, Wazir5,6 |
| 刊名 | Journal of Physics and Chemistry of Solids
 |
| 出版日期 | 2017 |
| 卷号 | 110页码:241-247 |
| ISSN号 | 00223697 |
| DOI | 10.1016/j.jpcs.2017.06.014 |
| 英文摘要 | Ga and/or N doped TiO2nanoparticles synthesized by one pot hydrothermal method possess pure anatase phase with spherical morphology. Calculations based on density functional theory (DFT) explained the band gap narrowing, origin of optical absorption and the possible changes in the photocatalytic activity of synthesized nano-photocatalysts. Analysis of band structure and density of states revealed that N and Ga, N codoping introduced some partially occupied states above the valance band maximum which might influence the electron hole pair recombination. Calculations as well as experiments confirmed the shifting of absorption edge towards visible regime due to doping. Spectroscopic investigations confirmed the existence of dopant atoms in the doped samples. Ga doped TiO2samples provided the best photocatalytic activity compared to the synthesized samples attributed to the suitable band structure, enhanced optical absorption and effective separation between photoexcited carriers. © 2017 Elsevier Ltd |
| 源URL | [http://ir.sic.ac.cn/handle/331005/25473]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 作者单位 | 1.State Key Lab of High Performance Ceramics and Superfine Microstructure, Chinese Academy of Sciences, Shanghai; 200050, China; 2.Department of Physics, Kohat University of Science and Technology (KUST), Kohat; 26000, Pakistan; 3.CAS Center for Excellence in Superconducting Electronics (CENSE), Shanghai; 200050, China; 4.Multiscale Computational Materials Facility, College of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China; 5.Health Physics Division (HPD), Pakistan Institute of Nuclear Science and Technology (PINSTECH), Islamabad; 45650, Pakistan; 6.Department of Therapeutic Radiology, Yale-School of Medicine, Yale University, New Haven; CT; 06520-8040, United States |
| 推荐引用方式 GB/T 7714 | Khan, Matiullah,Yi, Zeng,Gul, Sahar Ramin,et al. Anomalous photodegradation response of Ga, N codoped TiO2under visible light irradiations: An interplay between simulations and experiments[J]. Journal of Physics and Chemistry of Solids,2017,110:241-247. |
| APA | Khan, Matiullah,Yi, Zeng,Gul, Sahar Ramin,Fawad, U.,&Muhammad, Wazir.(2017).Anomalous photodegradation response of Ga, N codoped TiO2under visible light irradiations: An interplay between simulations and experiments.Journal of Physics and Chemistry of Solids,110,241-247. |
| MLA | Khan, Matiullah,et al."Anomalous photodegradation response of Ga, N codoped TiO2under visible light irradiations: An interplay between simulations and experiments".Journal of Physics and Chemistry of Solids 110(2017):241-247. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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