Coordination environment engineering on nickel single-atom catalysts for CO<sub>2</sub> electroreduction
Mengbo Ma, Fuhua Li, Qing Tang
Abstract
The correlation between the coordination environment and the activity/selectivity of B/C/N co-coordinated Ni single atom catalysts towards CO 2 electroreduction was systematically studied by theory.
Topics & Concepts
CatalysisNickelAdsorptionSelectivityRedoxTransition metalActive siteDensity functional theoryAtom (system on chip)ChemistryMaterials scienceCrystallographyInorganic chemistryComputational chemistryPhysical chemistryOrganic chemistryComputer scienceEmbedded systemCO2 Reduction Techniques and CatalystsIonic liquids properties and applicationsElectrocatalysts for Energy Conversion