New insight into the CO formation mechanism during formic acid oxidation on Pt(111)

被引：33
|
作者：
Zhong, Wenhui [1 ]
Zhang, Dongju [1 ]
机构：
[1] Shandong Univ, Key Lab Colloid & Interface Chem, Minist Educ, Inst Theoret Chem, Jinan 250100, Peoples R China
来源：
CATALYSIS COMMUNICATIONS | 2012年 / 29卷
基金：
中国国家自然科学基金;
关键词：
Formic acid oxidation; Formic acid dimmer; Pt (111); DFT; GENERALIZED GRADIENT APPROXIMATION; ELECTROCATALYTIC OXIDATION; PLATINUM NANOPARTICLES; INFRARED-SPECTROSCOPY; CARBON-MONOXIDE; METHANOL; ELECTROOXIDATION; ELECTRODES; SURFACES; HCOOH;
D O I：
10.1016/j.catcom.2012.09.002
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：
Density functional theory (DFT) calculations show a new concerted mechanism of formic acid (HCOOH) oxidation on Pt (111), which involves the simultaneous formation of CO2 and CO via the HCOOH dimer in an elementary step. The newly proposed mechanism rationalizes the easy CO poisoning of Pt-based catalysts and improves our understanding for the mechanism of catalytic HCOOH oxidation. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：82 / 86
页数：5
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