Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production
文献类型：期刊论文
| 作者 | Huang, Ying1,2 ; Yan, Chang-Feng1,2; Guo, Chang-Qing1; Shi, Yan1
|
| 刊名 | international journal of hydrogen energy
 |
| 出版日期 | 2016-05-25 |
| 卷号 | 41期号:19页码:7919-7926 |
| 关键词 | First principle DFT CASTEP Cerium dioxide Density of states Photocatalysis |
| 英文摘要 | experimental and computational (dft) approaches were carried out to investigate oxygen vacancies on cerium dioxide. computational result indicates oxygen vacancies can shorten the band gap of ceo2 and enhance the absorption for visible light because ce (iii) created by generation of oxygen vacancies is easier for excitation than ce (iv) under same irradiation. the order of calculated band gap for ce16o31, (111) < (113) < (133), and the absorption data suggests that (111) plane may be the most ideal position for oxygen vacancies to enhance photocatalytic activity. the result has been tested and verified by experimental study, including uv-vis spectra, xps, xrd and pl. the enhanced hydrogen productions of ceo2 samples, from 34.8 gmol to 63.0 mu mol, are 2.0-3.5 times as high as that of commercial ceo2 (17.8 mu mol). (c) 2016 hydrogen energy publications llc. published by elsevier ltd. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 类目[WOS] | chemistry, physical ; electrochemistry ; energy & fuels |
| 研究领域[WOS] | chemistry ; electrochemistry ; energy & fuels |
| 关键词[WOS] | visible-light irradiation ; carbon-dioxide ; ceo2 nanoparticles ; optical-properties ; co oxidation ; doped tio2 ; reduction ; catalysts ; temperature ; fluorine |
| 收录类别 | SCI ; ISTP |
| 语种 | 英语 |
| WOS记录号 | WOS:000376695800021 |
| 源URL | [http://ir.giec.ac.cn/handle/344007/11664]  |
| 专题 | 中国科学院广州能源研究所 |
| 作者单位 | 1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, Ying,Yan, Chang-Feng,Guo, Chang-Qing,et al. Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production[J]. international journal of hydrogen energy,2016,41(19):7919-7926. |
| APA | Huang, Ying,Yan, Chang-Feng,Guo, Chang-Qing,&Shi, Yan.(2016).Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production.international journal of hydrogen energy,41(19),7919-7926. |
| MLA | Huang, Ying,et al."Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production".international journal of hydrogen energy 41.19(2016):7919-7926. |
入库方式： OAI收割
来源：广州能源研究所
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