The effect of surface strain on the CO-poisoned surface of Pt electrode for hydrogen adsorption

被引：33

作者：

He, Jia ^{[1
]}

Shen, Yongli ^{[1
]}

Yang, Mingzhu ^{[1
]}

Zhang, Haixia ^{[1
]}

Deng, Qibo ^{[1
,2
]}

Ding, Yi ^{[1
]}

机构：

[1] Tianjin Univ Technol, Sch Mat Sci & Engn, Inst New Energy Mat & Low Carbon Technol, Tianjin Key Lab Adv Funct Porous Mat, Tianjin 300384, Peoples R China

[2] Hamburg Univ Technol, Inst Mat Phys & Technol, D-21073 Hamburg, Germany

来源：

JOURNAL OF CATALYSIS | 2017年 / 350卷

基金：

中国博士后科学基金; 中国国家自然科学基金;

关键词：

Chemo-mechanical coupling; CO-poisoned surface; Tensile strain; Hydrogen adsorption energy; CO-poisoning effect; Density functional theory; STRESS; ELECTROOXIDATION; NANOPARTICLES; OXIDATION; EVOLUTION; OXYGEN;

D O I：

10.1016/j.jcat.2017.04.004

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 impact of mechanical strain is studied at CO-poisoned Pt(111) surface for hydrogen adsorption. Our experiment first investigates a coupling parameter of interest, zeta(H), which quantifies the variation of hydrogen adsorption potential in response to surface strain. The result exhibits a bigger zeta(H) at CO-poisoned surface than the value measured at clean surface. Since adsorption potential is linked to adsorption energy, it indicates significantly the larger effect of tensile strain on decreasing hydrogen adsorption energy at CO-poisoned surface, comparing to the clean surface. OFT calculations at an atomic level support the experimental observation and explain this behavior can be attributed to the strain-induced reduction in CO-poisoning effect on hydrogen adsorption energy. (C) 2017 Elsevier Inc. All rights reserved.

引用

页码：212 / 217

页数：6

共 32 条

[1] From molecules to solids with the DMol3 approach [J].