High-throughput screening of dual-atom doped PC6 electrocatalysts for efficient CO2 electrochemical reduction to CH4 by breaking scaling relations
Chenyin Li, Xin Liu, F. Xu, Dandan Wu, Hong Xu, Guohong Fan
Topics & Concepts
Density functional theoryCatalysisElectrocatalystChemistryElectrochemistryScalingChemical physicsComputational chemistryPhysical chemistryElectrodeOrganic chemistryMathematicsGeometryCO2 Reduction Techniques and CatalystsAdvanced Thermoelectric Materials and DevicesElectrocatalysts for Energy Conversion