TM-N4-Gra/XS2 (X= Mo, Sn, W) heterojunction catalysts for oxygen reduction reaction and oxygen evolution reaction: Density function theory and machine learning insights
Yujie Sun, Chang‐Chun Ding, Bei-Chen Dai, Jun-Long Zhou, Wei Jin, Tong Liu, Jun-Shan Hu, Min-Quan Kuang
Topics & Concepts
Density functional theoryCatalysisOxygen reduction reactionOxygenHeterojunctionOxygen evolutionFunction (biology)Reduction (mathematics)Materials scienceChemistryChemical engineeringPhysical chemistryComputational chemistryMathematicsElectrochemistryGeometryOptoelectronicsBiologyOrganic chemistryElectrodeEvolutionary biologyEngineeringElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science