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Rapid fabrication of SnO2 nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye

文献类型：期刊论文

作者Li, Yuanyuan1,2; Yang, Qimei1; Wang, Zhongming1,2; Wang, Guoyu4; Zhang, Bin5; Zhang, Qian3; Yang, Dingfeng3
刊名INORGANIC CHEMISTRY FRONTIERS
出版日期2018-12-01
卷号5期号:12页码:11
ISSN号2052-1553
DOI10.1039/c8qi00688a
通讯作者Li, Yuanyuan(liyy@cque.edu.cn) ; Yang, Dingfeng(yangxunscience@cqut.edu.cn)
英文摘要Metal oxides have attracted an increasing attention for the photo-degradation of organic containments. Deep understanding of the physical parameters correlated with the photocatalytic process is critical and beneficial for finding an efficient and robust photocatalyst. Herein, by taking SnO2 as a prototypical model, we systematically study exciton energy, effective mass, carrier mobility and partial charge density based on the density functional theory (DFT). We demonstrate that the obtained exciton energy is quite low and can be effectively dissociated into charge carriers at room temperature. The estimated carrier mobility of electrons is about 50 times greater than that of holes. More interestingly, analyzing partial charge density on the top of the valence band reveals that the photocatalytic oxidation reaction site would occur on the O-p state. Experimentally, SnO2 nanoparticles have been synthesized by a simple method and characterized by Powder XRD and TEM. With the photocatalyst SnO2, more than 90% methyl blue (MB) and Rhodamine B (RhB) are degraded under the UV light irradiation within 50 min and 270 min, respectively. Trapping experiments reveal that OH are the main active species to oxidize the organic dye and mainly originate through the oxidation of holes (h(+)). This study establishes an in-depth understanding of electronic structure and photocatalysis and provides insights into the designing of new photocatalytic materials.
资助项目Basic and Frontier Research Project of Chongqing Science and Technology Commission[cstc2017jcyjAX0371] ; Project of Science and Technology collaborative innovation platform construction of Chongqing University of Education[2017XJPT01] ; University-level key projects of Chongqing University of Education[KY201704A] ; Scientific Research Foundation of Chongqing University of Education[2017BSRC001] ; Scientific Research Foundation of Chongqing University of Technology[0115180633]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000452114200001
出版者ROYAL SOC CHEMISTRY
源URL[http://119.78.100.138/handle/2HOD01W0/7173]  
专题中国科学院重庆绿色智能技术研究院
通讯作者Li, Yuanyuan; Yang, Dingfeng
作者单位1.Chongqing Univ Educ, Dept Biol & Chem Engn, Chongqing 400067, Peoples R China
2.Chongqing Univ Educ, Cooperat Innovat Ctr Lipid Resources & Childrens, Chongqing 400067, Peoples R China
3.Chongqing Univ Educ, Coll Chem & Chem Engn, Chongqing 400067, Peoples R China
4.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China
5.Chongqing Univ, Analyt & Testing Ctr, Chongqing 401331, Peoples R China
推荐引用方式
GB/T 7714		 Li, Yuanyuan,Yang, Qimei,Wang, Zhongming,et al. Rapid fabrication of SnO2 nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye[J]. INORGANIC CHEMISTRY FRONTIERS,2018,5(12):11.
APA Li, Yuanyuan.,Yang, Qimei.,Wang, Zhongming.,Wang, Guoyu.,Zhang, Bin.,...&Yang, Dingfeng.(2018).Rapid fabrication of SnO2 nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye.INORGANIC CHEMISTRY FRONTIERS,5(12),11.
MLA Li, Yuanyuan,et al."Rapid fabrication of SnO2 nanoparticle photocatalyst: computational understanding and photocatalytic degradation of organic dye".INORGANIC CHEMISTRY FRONTIERS 5.12(2018):11.

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来源：重庆绿色智能技术研究院

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