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题名: Study of hydrogen evolution reaction on Ni-P amorphous alloy in the light of experimental and quantum chemistry
作者: Wei, Z. D.1, 2;  Yan, A. Z.1;  Feng, Y. C.1;  Li, L.1, 3;  Sun, C. X.2;  Shao, Z. G.4;  Shen, P. K.5
关键词: hydrogen evolution reaction ;  Ni-P alloys ;  electrodeposition ;  water electrolysis ;  density-functional theory
刊名: ELECTROCHEMISTRY COMMUNICATIONS
发表日期: 2007-11-01
DOI: 10.1016/j.elecom.2007.09.006
卷: 9, 期:11, 页:2709-2715
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Electrochemistry
研究领域[WOS]: Electrochemistry
英文摘要: The hydrogen evolution reaction (HER) on Ni-P alloys was investigated experimentally and theoretically. First Ni-P alloys with P content in the range from 5.8 to 10.0 wt% were prepared by electrodeposition. The best catalysis to the HER was found on the Ni-P alloys with P content of 6.0 wt% (10.8 at%). In order to understand the function of P element in Ni-P amorphous alloys for the HER, the density-functional theory (DFT) method and front molecular orbital (FMO) theory were used to analyze the function of P element in Ni-P amorphous alloys for the HER. The research shows: it is easier for water molecule to get the first electron and form Ni(n+1)-H and Ni(n)P-H on Ni(n+1) clusters than on Ni(n)P clusters, but it is more difficult for water molecule to get the second electron from Ni(n+-1)-H than Ni(n)P-H. The strength of Ni(n+1)-H bond is always greater than that of Ni(n)P-H. It means it is more difficult for hydrogen evolutes from Ni(n+1) clusters than Ni(n)P clusters. Regardless of which step among all steps of the HER is the rate-control step, the Ni-P alloys with P contents being in a range of 9.1-14.3 at% would be always good to the whole HER. (C) 2007 Elsevier B.V. All rights reserved.
关键词[WOS]: CATALYTIC-ACTIVITY ;  ELECTRODES ;  CO ;  ADSORPTION ;  CRYSTAL ;  SURFACE ;  MEDIA
语种: 英语
WOS记录号: WOS:000251784700014
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140409
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400044, Peoples R China
2.Chongqing Univ, Key Lab High Voltage Engn & Elect New Technol, Chongqing 400044, Peoples R China
3.Chongqing Univ, Sch Mat Sci & Engn, Chongqing 400044, Peoples R China
4.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
5.Sun Yat Sen Univ, Sch Phys & Engn, State Key Lab Optoelectron Mat & Technol, Guangzhou 510275, Peoples R China

Recommended Citation:
Wei, Z. D.,Yan, A. Z.,Feng, Y. C.,et al. Study of hydrogen evolution reaction on Ni-P amorphous alloy in the light of experimental and quantum chemistry[J]. ELECTROCHEMISTRY COMMUNICATIONS,2007,9(11):2709-2715.
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