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Anomalous photodegradation response of Ga, N codoped TiO2under visible light irradiations: An interplay between simulations and experiments
Khan, Matiullah1,2; Yi, Zeng1,3; Gul, Sahar Ramin1,4; Fawad, U.2; Muhammad, Wazir5,6
2017
发表期刊Journal of Physics and Chemistry of Solids
ISSN00223697
卷号110页码:241-247
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
DOI10.1016/j.jpcs.2017.06.014
EI入藏号20172503797806
EI主题词Doping (additives)
EI分类号549.3 Nonferrous Metals and Alloys excluding Alkali and Alkaline Earth Metals - 741.1 Light/Optics - 802.2 Chemical Reactions - 803 Chemical Agents and Basic Industrial Chemicals - 804.2 Inorganic Compounds - 922.1 Probability Theory - 933 Solid State Physics
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文献类型期刊论文
条目标识符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
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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.
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