Structure dependent active sites of NixSy as electrocatalysts for hydrogen evolution reaction

被引：113

作者：

Chung, Dong Young ^{[1
,2
]}

Han, Joung Woo ^{[3
]}

Lim, Dong-Hee ^{[4
]}

Jo, Jun-Ho ^{[5
]}

Yoo, Sung Jong ^{[5
]}

Lee, Hyunjoo ^{[6
]}

Sung, Yung-Eun ^{[1
,2
]}

机构：

[1] Inst for Basic Sci Korea, Ctr Nanoparticle Res, Seoul 151742, South Korea

[2] Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151742, South Korea

[3] Yonsei Univ, Dept Chem & Biomol Engn, Seoul 120749, South Korea

[4] Chungbuk Natl Univ, Dept Environm Engn, Chungbuk 361763, South Korea

[5] Korea Inst Sci & Technol, Fuel Cell Res Ctr, Seoul 136791, South Korea

[6] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Taejon 305701, South Korea

来源：

NANOSCALE | 2015年 / 7卷 / 12期

关键词：

INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; MOS2; NANOPARTICLES; EDGE SITES; BASIS-SET; OXIDATION; CATALYSTS; KINETICS; METALS;

D O I：

10.1039/c4nr07648f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structure effects of NiS and Ni3S2 nanoparticles were investigated for their electrocatalytic activity in the hydrogen evolution reaction in both acid and alkaline media. Owing to the different atomic configurations and crystalline structures, there is a hydrogen adsorption energy difference, which induces a difference in the activity. From density functional theory calculations and experimental observations, the importance of designing an electrocatalyst with an appropriate atomic configuration is evident.

引用

页码：5157 / 5163

页数：7

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