Machine learning screening of high-performance single-atom electrocatalysts for two-electron oxygen reduction reaction
Xuqian Zhang, Jiming Liu, Rui Li, Xuan Jian, Xiaoming Gao, Zhongli Lu, Xiuping Yue
Topics & Concepts
ElectrocatalystCatalysisSelectivityChemistryHydrogen peroxideElectrochemistryDensity functional theoryAdsorptionCombinatorial chemistryLimitingNanotechnologyMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryMechanical engineeringElectrodeEngineeringElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceAdvanced Photocatalysis Techniques