Reexamination of CO formation during formic acid decomposition on the Pt(111) surface in the gas phase

被引：3

作者：

Wang, Yingying ^{[1
,2
]}

Zhang, Dongju ^{[2
]}

Liu, Peng ^{[2
,3
]}

Liu, Chengbu ^{[2
]}

机构：

[1] Shandong Vocat Coll Light Ind, Zibo 255300, Peoples R China

[2] Shandong Univ, Inst Theoret Chem, Minist Educ, Key Lab Colloid & Interface Chem, Jinan 250100, Peoples R China

[3] Qufu Normal Univ, Sch Chem & Chem Engn, Qufu 273165, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2016年 / 658卷

基金：

中国博士后科学基金;

关键词：

INFRARED-SPECTROSCOPY; OXIDATION; HCOOH; ELECTRODES; MECHANISM; ADSORPTION; KINETICS; INSIGHT; CASTEP; WATER;

D O I：

10.1016/j.cplett.2016.06.052

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：

Existing theoretical results for formic acid (HCOOH) decomposition on Pt(111) cannot rationalize the easy CO poisoning of the catalysts in the gas phase. The present work reexamined HCOOH decomposition on Pt(111) by considering the effect of the initial adsorption structure of the reactant on the reactivity. Our calculations present a new adsorption configuration of HCOOH on Pt(111), from which the formation of CO is found to be competing with the formation of CO2. The newly proposed mechanism improves our understanding for the mechanism of HCOOH decomposition catalyzed by Pt-based catalysts. (C) 2016 Published by Elsevier B.V.

引用

页码：207 / 209

页数：3

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