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| Experimental and first-principles DFT study on oxygen vacancies on cerium dioxide and its effect on enhanced photocatalytic hydrogen production | |
Huang, Ying1,2 ; Yan, Chang-Feng1,2; Guo, Chang-Qing1; Shi, Yan1
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| 2016-05-25 | |
| Source Publication | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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| Volume | 41Issue:19Pages:7919-7926 |
| Abstract | 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. |
| Subtype | Article |
| Keyword | First Principle Dft Castep Cerium Dioxide Density Of States Photocatalysis |
| WOS Headings | Science & Technology ; Physical Sciences ; Technology |
| DOI | 10.1016/j.ijhydene.2015.10.151 |
| WOS Subject Extended | Chemistry ; Electrochemistry ; Energy & Fuels |
| WOS Keyword | VISIBLE-LIGHT IRRADIATION ; CARBON-DIOXIDE ; CEO2 NANOPARTICLES ; OPTICAL-PROPERTIES ; CO OXIDATION ; DOPED TIO2 ; REDUCTION ; CATALYSTS ; TEMPERATURE ; FLUORINE |
| Indexed By | SCI ; ISTP |
| Language | 英语 |
| WOS Subject | Chemistry, Physical ; Electrochemistry ; Energy & Fuels |
| WOS ID | WOS:000376695800021 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.giec.ac.cn/handle/344007/11664 |
| Collection | 中国科学院广州能源研究所 |
| Affiliation | 1.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Guangdong, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100039, Peoples R China |
| First Author Affilication | GuangZhou Institute of Energy Conversion,Chinese Academy of Sciences |
| Recommended Citation 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. |
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