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
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| 刊名 | Inorganic Chemistry Frontiers
 |
| 出版日期 | 2018 |
| 卷号 | 5期号:12页码:3005-3014 |
| DOI | 10.1039/c8qi00688a |
| 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. © the Partner Organisations. |
| 电子版国际标准刊号 | 20521553 |
| 语种 | 英语 |
| 源URL | [http://119.78.100.138/handle/2HOD01W0/7990]  |
| 专题 | 中国科学院重庆绿色智能技术研究院 |
| 作者单位 | 1.Department of Biological and Chemical Engineering, Chongqing University of Education, Chongqing; 400067, China; 2.Cooperative Innovation Center of Lipid Resources and Children's Daily Chemicals, Chongqing University of Education, Chongqing; 400067, China; 3.College of Chemistry and Chemical Engineering, Chongqing University of Technology, 69 Hongguang Rd., Lijiatuo Banan District, Chongqing; 400054, China; 4.Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing; 400714, China; 5.Analytical and Testing Center of Chongqing University, Chongqing; 401331, 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):3005-3014. |
| 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),3005-3014. |
| 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):3005-3014. |
入库方式： OAI收割
来源：重庆绿色智能技术研究院
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