Graphene-based single-atom catalysts for electrochemical CO <sub>2</sub> reduction: unraveling the roles of metals and dopants in tuning activity
Colin Gallagher, Manish Kothakonda, Qing Zhao
Abstract
This first-principles study discovers efficient single-atom catalysts (SACs) that can convert carbon dioxide to C 1 hydrocarbons and reveals the role of metal-coordination environment in tuning SAC reactivity.
Topics & Concepts
DopantGrapheneElectrochemistryCatalysisAtom (system on chip)Reduction (mathematics)Materials scienceNanotechnologyChemical engineeringCombinatorial chemistryInorganic chemistryChemical physicsChemistryDopingPhysical chemistryOptoelectronicsElectrodeOrganic chemistryComputer scienceEngineeringMathematicsEmbedded systemGeometryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionMolecular Junctions and Nanostructures