Theoretical investigation on graphene-supported single-atom catalysts for electrochemical CO<sub>2</sub> reduction
Xiting Wang, Huan Niu, Yuanshuang Liu, Chen Shao, John Robertson, Zhaofu Zhang, Yuzheng Guo
Abstract
TM atoms supported on the graphene sheet (TM@Gr<sub>s</sub>) as promising CO<sub>2</sub> catalysts were investigated by first-principles calculations. Cr-, Co- and Rh@Gr<sub>s</sub> show remarkable performance with the low limiting potentials for CO<sub>2</sub>RR.
Topics & Concepts
GrapheneCatalysisElectrochemistryLimitingAtom (system on chip)Materials scienceNanotechnologyReduction (mathematics)ChemistryPhysical chemistryElectrodeComputer scienceGeometryMathematicsEmbedded systemEngineeringMechanical engineeringBiochemistryCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science