| 题名 | Understanding oxygen evolution mechanisms by tracking charge flow at the atomic level |
| 作者 | |
| 通讯作者 | Xu, Hu; Tong, Shuk-Yin |
| 发表日期 | 2023-07-21
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| DOI | |
| 发表期刊 | |
| EISSN | 2589-0042
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| 卷号 | 26期号:7 |
| 摘要 | Current classifications of oxygen evolution catalysts are based on energy levels of the clean catalysts. It is generally asserted that a LOM-catalyst can only follow LOM chemistry in each electron transfer step and that there can be no mixing between AEM and LOM steps without an external trigger. We use ab initio theory to track the charge flow of the water-on-catalyst system and show that the position of water orbitals is pivotal in determining whether an electron transfer step is water dominated oxidation (WDO), lattice-oxygen dominated oxidation (LoDO), or metal dominated oxidation (MDO). Microscopic photo-catalytic pathways of TiO2 (110), a material whose lattice oxygen bands lie above the metal bands, show that viable OER pathways follow either all AEM steps or mixed AEM-LOM steps. The results provide a correct description of redox chemistries at the atomic level and advance our understanding of how water-splitting catalysts produce desorbed oxygen. |
| 相关链接 | [来源记录] |
| 收录类别 | |
| 语种 | 英语
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| 学校署名 | 通讯
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| 资助项目 | National Natural Science Foundation of China["12174326","RCYX2020 0714114523069"]
; Science, Technology and Innovation Commission of Shenzhen Municipality[2019ZT08L101]
; Guangdong Introducing Innovative and Entrepreneurial Teams[GXWD20201231105722002-202 00824163747001]
; Shenzhen Natural Science Foundation[ZDSYS20200922160400001]
; null[11974160]
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| WOS研究方向 | Science & Technology - Other Topics
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| WOS类目 | Multidisciplinary Sciences
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| WOS记录号 | WOS:001054538700001
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| 出版者 | |
| 来源库 | Web of Science
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| 引用统计 |
被引频次[WOS]：2
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| 成果类型 | 期刊论文 |
| 条目标识符 | http://sustech.caswiz.com/handle/2SGJ60CL/553381 |
| 专题 | 理学院_物理系 |
| 作者单位 | 1.Chinese Univ Hong Kong, Sch Sci & Engn, Shenzhen 518172, Peoples R China 2.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China 3.Univ Sci & Technol China, Coll Chem & Mat Sci, Hefei 230026, Peoples R China 4.Suzhou Univ Sci & Technol, Inst Mat Sci & Devices, Suzhou 215009, Peoples R China |
| 第一作者单位 | 物理系 |
| 通讯作者单位 | 物理系 |
| 推荐引用方式 GB/T 7714 |
Zhao, Changming,Tian, Hao,Zou, Zhigang,et al. Understanding oxygen evolution mechanisms by tracking charge flow at the atomic level[J]. ISCIENCE,2023,26(7).
|
| APA |
Zhao, Changming,Tian, Hao,Zou, Zhigang,Xu, Hu,&Tong, Shuk-Yin.(2023).Understanding oxygen evolution mechanisms by tracking charge flow at the atomic level.ISCIENCE,26(7).
|
| MLA |
Zhao, Changming,et al."Understanding oxygen evolution mechanisms by tracking charge flow at the atomic level".ISCIENCE 26.7(2023).
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| 条目包含的文件 | 条目无相关文件。 | |||||
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