Os/Si nanocomposites as excellent hydrogen evolution electrocatalysts with thermodynamically more favorable hydrogen adsorption free energy than platinum

被引：46

作者：

Cheng, Yafei ^{[1
]}

Fan, Xing ^{[1
]}

Liao, Fan ^{[1
]}

Lu, Shunkai ^{[1
]}

Li, Youyong ^{[1
]}

Liu, Liangbin ^{[1
]}

Li, Yanqing ^{[1
]}

Lin, Haiping ^{[1
]}

Shao, Mingwang ^{[1
]}

Lee, Shuit-Tong ^{[1
]}

机构：

[1] Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Jiangsu Key Lab Carbon Based Funct Mat & Devices, Suzhou 215123, Peoples R China

来源：

NANO ENERGY | 2017年 / 39卷

基金：

中国国家自然科学基金;

关键词：

Hydrogen evolution reaction; Os nanoparticles; Si nanowires; Electrocatalysts; Adsorption free energy; WAVE BASIS-SET; SILICON NANOWIRES; CATALYSTS; METALS;

D O I：

10.1016/j.nanoen.2017.07.009

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The development of highly efficient electrocatalysts for hydrogen evolution reaction is a fundamental undertaking of the hydrogen economy. Herein, we investigated the electrocatalytic performance of M/Si (M = Os, Rh, Pt, Pd, Re, Ru, Au or Ag) nanocomposites for hydrogen evolution reaction. The results show that Os/Si nanocomposites exhibit the best catalytic efficiency with a negligible onset overpotential (-25 mV), a small Tafel slope of -24 mV dec(-1) and remarkable long-term stability. Of most importance, at a current density of the typical industrial production (-1000 mA cm(-2)), the energy conversion efficiency of the Os/Si nanocomposite is 29.3% higher than that of the commercial 40 wt% Pt/C. The density functional calculations reveal that such outstanding catalytic activity of the Os/Si catalyst arises from the thermodynamically more favorable hydrogen adsorption free energy (Delta G(H*) = -0.03 eV) at the osmium/silicon interfaces than that on platinum (Delta G(H*) = -0.09 eV) or osmium (Delta G(H*) = -0.26 eV).

引用

页码：284 / 290

页数：7

共 24 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].