Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction
文献类型：期刊论文
| 作者 | Xiao, Dezhi3,4; Bao, De-Liang2,5,6; Liang, Xiongyi3,4; Wang, Ying3,4; Shen, Jie1 ; Cheng, Cheng1; Chu, Paul K.3,4
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| 刊名 | APPLIED CATALYSIS B-ENVIRONMENTAL
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| 出版日期 | 2021-07-05 |
| 卷号 | 288 |
| 关键词 | Plasma functionalization Oxygen doping Ion energy and flux Molecular dynamics calculation Hydrogen evolution reaction |
| ISSN号 | 0926-3373 |
| DOI | 10.1016/j.apcatb.2021.119983 |
| 通讯作者 | Chu, Paul K.(paul.chu@cityu.edu.hk) |
| 英文摘要 | Plasma functionalization is an effective method to improve the electrocatalytic activity of catalysts for the hydrogen evolution reaction (HER), but the relationship between the plasma and catalytic activity is not clear. Herein, oxygen plasma processing is conducted on MoSe2 nanosheets and the effects of the plasma parameters including ion energy and radical flux are investigated by plasma simulation and molecular dynamics (MD) to fathom the interactions between the plasma and catalyst. A moderate ion energy and flux produce doping effects leading to proper replacement of Se sites by oxygen atoms to balance vacancy generation. Consequently, the HER characteristics are improved as exemplified by a small overpotential of 165 mV at 10 mA cm(-2) and Tafel slope of 55.2 mV dec(-1). Based on first-principles density-functional theory calculation, increased polarization and state density distributions close to the Femi level introduced by oxygen and vacancies reduce the bandgap and Delta G(H) at the Mo, Se, and O sites, consequently enhancing charge transfer between the catalyst and electrolyte. The results convey new fundamental knowledge about plasma surface functionalization of electrochemical catalysts and enable precise and optimal selection of plasma processing parameters to control and balance the active sites for efficient water splitting. |
| 资助项目 | Hong Kong Scholars Program[XJ2018009] ; City University of Hong Kong Strategic Research Grant (SRG)[7005505] |
| WOS研究方向 | Chemistry ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000627586500001 |
| 出版者 | ELSEVIER |
| 资助机构 | Hong Kong Scholars Program ; City University of Hong Kong Strategic Research Grant (SRG) |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/120915]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Chu, Paul K. |
| 作者单位 | 1.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China 2.Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA 3.City Univ Hong Kong, Dept Mat Sci & Engn, Dept Phys, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China 4.City Univ Hong Kong, Dept Biomed Engn, Kowloon, Tat Chee Ave, Hong Kong, Peoples R China 5.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China 6.Chinese Acad Sci, Univ Chinese Acad Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xiao, Dezhi,Bao, De-Liang,Liang, Xiongyi,et al. Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction[J]. APPLIED CATALYSIS B-ENVIRONMENTAL,2021,288. |
| APA | Xiao, Dezhi.,Bao, De-Liang.,Liang, Xiongyi.,Wang, Ying.,Shen, Jie.,...&Chu, Paul K..(2021).Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction.APPLIED CATALYSIS B-ENVIRONMENTAL,288. |
| MLA | Xiao, Dezhi,et al."Experimental and theoretical investigation of the control and balance of active sites on oxygen plasma-functionalized MoSe 2 nanosheets for efficient hydrogen evolution reaction".APPLIED CATALYSIS B-ENVIRONMENTAL 288(2021). |
入库方式： OAI收割
来源：合肥物质科学研究院
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