Machine-Learning assisted screening of double metal catalysts for CO2 electroreduction to CH4
Zixuan Wu, Jiaxiang Liu, Bofang Mu, Xiaoxiang Xu, Wenchao Sheng, Wen‐Quan Tao, Zhuo Li
Topics & Concepts
CatalysisDensity functional theoryTransition metalRedoxElectrochemistrySelectivityChemistryHeteronuclear moleculeMetalMonolayerScalingMaterials scienceComputational chemistryChemical physicsNanotechnologyCombinatorial chemistryPhysical chemistryInorganic chemistryMoleculeOrganic chemistryElectrodeGeometryMathematicsCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen ReductionMachine Learning in Materials Science