Molecule functionalization to facilitate electrocatalytic oxygen reduction on graphdiyne
文献类型：期刊论文
| 作者 | Yao, Huiying1; Zhao, Yasong2; Yang, Nailiang2; Hao, Wei3; Zhao, Hu4; Li, Shuzhou3; Zhu, Jia1,5; Shen, Lin1; Fang, Weihai1 |
| 刊名 | Journal of Energy Chemistry
 |
| 出版日期 | 2022-02-01 |
| 卷号 | 65页码:141-148 |
| ISSN号 | 20954956 |
| 关键词 | Charge transfer - Catalyst activity - Oxygen - Electrocatalysis - Electronic structure - Electrolytic reduction - Reaction intermediates - Electronic states |
| DOI | 10.1016/j.jechem.2021.04.052 |
| 英文摘要 | Chemical doping is verified to be a promising strategy to regulate local electron distribution and further promote the poor intrinsic catalytic activity of graphdiyne. However, the current doping approach still faces problems such as precise doping for creating active sites and the destruction of graphdiyne skeleton calling for high temperature. Here, we achieved charge redistribution on graphdiyne surface through molecule functionalization. A p-type molecule鈥揊4TCNQ (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane) was introduced and the site-defined functionalization was accomplished. Theoretical calculations showed that the charge transfer ability is improved and graphdiyne becomes positively charged. The oxygen reduction electrocatalysis was conducted as a proof of principle, where the electronic states of sp hybridized C active site was tuned toward favorable reaction intermediates鈥?adsorption. Such work from both theoretical prediction and experimental validation, found that molecule functionalization is effective to promote the electrocatalytic oxygen reduction, which creates new possibilities for graphdiyne's applications in different electrochemical reactions. 漏 2021 Science Press |
| 学科主题 | Molecules |
| 项目编号 | We are grateful to Prof. Xinghua Shi for providing the computation resource and Prof. Yuliang Li for providing the graphdiyne sample. This work was supported by the National Natural Science Foundation of China (21773016, 21971244, 51932001) and the National Key R&D Program of China (2018YFA0703504). |
| 出版者 | Elsevier B.V. |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/60359]  |
| 作者单位 | 1.College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing; 100875, China 2.State Key Laboratory of Biochemical Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing; 100190, China 3.School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798, Singapore 4.Department of Physics, Beijing Normal University, Beijing; 100875, China 5.Laboratory of Theoretical and Computational Nanoscience, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Chinese Academy of Sciences, Beijing; 100190, China |
| 推荐引用方式 GB/T 7714 | Yao, Huiying,Zhao, Yasong,Yang, Nailiang,et al. Molecule functionalization to facilitate electrocatalytic oxygen reduction on graphdiyne[J]. Journal of Energy Chemistry,2022,65:141-148. |
| APA | Yao, Huiying.,Zhao, Yasong.,Yang, Nailiang.,Hao, Wei.,Zhao, Hu.,...&Fang, Weihai.(2022).Molecule functionalization to facilitate electrocatalytic oxygen reduction on graphdiyne.Journal of Energy Chemistry,65,141-148. |
| MLA | Yao, Huiying,et al."Molecule functionalization to facilitate electrocatalytic oxygen reduction on graphdiyne".Journal of Energy Chemistry 65(2022):141-148. |
入库方式： OAI收割
来源：过程工程研究所
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