Chemistry Letters, Vol.49, No.9, 999-1002, 2020
New Mechanism for Dehydration of HCOOH on Pt(111)
Existing computed results for formic acid (HCOOH) dehydration on Pt catalysts cannot explain the facile CO poisoning effect. By DFT calculations, this work studied HCOOH dehydration on a Pt(111) surface assisted by co-adsorbed HCOOH or H2O molecules. The calculated results show that CO is formed via intermolecular dehydration pathways. The newly proposed mechanisms provide a valuable input to understand the degradation problem of Pt catalyst in HCOOH decomposition.