Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface

被引：11
|
作者：
Fantauzzi, Donato [1 ]
Zhu, Tianwei [1 ]
Mueller, Jonathan E. [1 ]
Filot, Ivo A. W. [2 ]
Hensen, Emiel J. M. [2 ]
Jacob, Timo [1 ]
机构：
[1] Univ Ulm, Inst Elektrochem, D-89069 Ulm, Germany
[2] Eindhoven Univ Technol, Schuit Inst Catalysis, Dept Chem Engn & Chem, NL-5600 MB Eindhoven, Netherlands
来源：
CATALYSIS LETTERS | 2015年 / 145卷 / 01期
关键词：
Oxygen reduction reaction; Pt(111) surface; Microkinetic modeling; Surface chemistry; Heterogeneous catalysis; Kinetic rate modeling; SINGLE-CRYSTAL SURFACES; WATER FORMATION; HYDROGEN; OXIDATION; MECHANISM; H-2; DIFFUSION; CATALYST;
D O I：
10.1007/s10562-014-1448-5
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：
A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H-2 and O-2 atmosphere is used to predict and explain which compositions of H-2 and O-2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H-2 and O-2 the rate-determing step is found to transition from O* hydrogenation to O-2* dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O* and H* and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.
引用
收藏
页码：451 / 457
页数：7
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