Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity
文献类型：期刊论文
| 作者 | Huang, Jindou1,2; Wen, Shuhao1; Liu, Jianyong1; He, Guozhong1 |
| 刊名 | journal of natural gas chemistry
 |
| 出版日期 | 2012-05-01 |
| 卷号 | 21期号:3页码:302-307 |
| 关键词 | hybrid DFT TiO2 codoping thermodynamic stability band gap photocatalysts |
| 产权排序 | 1,1 |
| 通讯作者 | 刘建勇 |
| 英文摘要 | in this study, we have performed first-principles screened exchanged hybrid density function theory with the hse06 function calculations of the c-mo, c-w, n-nb and n-ta codoped anatase tio2 systems to investigate the effect of codoping on the electronic structure of tio2. the calculated results demonstrate that (w(s)+c(s)) codoped tio2 narrows the band gap significantly, and have little influence on the position of conduction band edges, therefore, enhances the efficiency of the photocatalytic hydrogen generation from water and the photodegradation of organic pollutants. moreover, the proper oxygen pressure and temperature are two key factors during synthesis which should be carefully under control so that the desired (w(s)+c(s)) codoped tio2 can be obtained. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, applied ; chemistry, physical ; energy & fuels ; engineering, chemical |
| 研究领域[WOS] | chemistry ; energy & fuels ; engineering |
| 关键词[WOS] | visible-light absorption ; titanium-dioxide ; anatase tio2 ; 1st-principles calculations ; water ; reactivity ; metals ; origin ; oxides ; n-tio2 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000305776100013 |
| 公开日期 | 2013-10-11 |
| 源URL | [http://159.226.238.44/handle/321008/117792]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, Jindou,Wen, Shuhao,Liu, Jianyong,et al. Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity[J]. journal of natural gas chemistry,2012,21(3):302-307. |
| APA | Huang, Jindou,Wen, Shuhao,Liu, Jianyong,&He, Guozhong.(2012).Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity.journal of natural gas chemistry,21(3),302-307. |
| MLA | Huang, Jindou,et al."Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity".journal of natural gas chemistry 21.3(2012):302-307. |
入库方式： OAI收割
来源：大连化学物理研究所
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