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

作者：Zhong Wenhui; Zhang Dongju^*

来源：Catalysis Communications, 2012, 29: 82-86.

DOI：10.1016/j.catcom.2012.09.002

• Formic acid oxidation
• Formic acid dimmer
• Pt (111)
• DFT

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.

• 出版日期2012-12-5
• 单位山东大学