Carbon dioxide activation and transformation to HCOOH on metal clusters (M = Ni, Pd, Pt, Cu, Ag & Au) anchored on a polyaniline conducting polymer surface – an evaluation study by hybrid density functional theory

Abstract

Computational electrocatalytic reduction of CO₂ to HCOOH was achieved on different metal-anchored polyaniline using density functional theory. Cu was found to perform better than other metals at an applied potential −0.58 V through the H*COO pathway.