Homonuclear multi-atom catalysts for CO<sub>2</sub> electroreduction: a comparison density functional theory study with their single-atom counterparts
Jingjing Xiao, Ziyang Liu, Xinshuang Wang, Fengyu Li, Zhonglong Zhao
Abstract
Multi-nuclear reaction centers on homonuclear multi-atom catalysts are designed to boost the CO 2 RR, outperforming their single-atom counterparts.
Topics & Concepts
Homonuclear moleculeAtom (system on chip)CatalysisDensity functional theoryChemistryComputational chemistryMoleculeComputer scienceOrganic chemistryEmbedded systemCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionIonic liquids properties and applications