Mechanistic Understanding of the Effect of Surface Composition of Pt-Ru Bimetallic Alloy Electrocatalysts on HCOOH Oxidation Pathways at Acid Electrochemical Interface

摘要

The effect of surface composition of Pt -Ru bimetallic alloy electrocatalysts on HCOOH oxidation mechanisms are first studied systematically at acid electrochemical interface based on DFT in this work. The present studies indicate that the growth of Pt on Ru may be not an optimal electrocatalyst. Instead, the alloying of Pt with Ru can notably enhance the direct electrooxidation activity of HCOOH.