Publisher DOI: 10.1016/j.jcat.2017.04.004
Title: The effect of surface strain on the CO-poisoned surface of Pt electrode for hydrogen adsorption
Language: English
Authors: He, Jia 
Shen, Yongli 
Yang, Mingzhu 
Zhang, Haixia 
Deng, Qibo 
Ding, Yi 
Keywords: chemo-mechanical coupling;CO-poisoned surface;CO-poisoning effect;density functional theory;hydrogen adsorption energy;tensile strain
Issue Date: 28-Apr-2017
Publisher: Elsevier
Source: Journal of Catalysis (350): 212-217 (2017)
Journal or Series Name: Journal of catalysis 
Abstract (english): The impact of mechanical strain is studied at CO-poisoned Pt(1 1 1) surface for hydrogen adsorption. Our experiment first investigates a coupling parameter of interest, ζH, which quantifies the variation of hydrogen adsorption potential in response to surface strain. The result exhibits a bigger ζH 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. DFT 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.
ISSN: 1090-2694
Institute: Werkstoffphysik und -technologie M-22 
Type: (wissenschaftlicher) Artikel
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