Reshaping the coordination and electronic structure of single atom sites on the right branch of ORR volcano plot
Liyuan Gong, Ying Wang, Jie Liu, Wang Xian, Yang Li, Yao Li, Zhijian Wu, Zhao Jin, Changpeng Liu, Wei Xing, Junjie Ge
Topics & Concepts
ElectronegativityCoordination numberChemistryCatalysisCoordination complexElectronic structureAtom (system on chip)Density functional theoryMetalComputational chemistryCrystallographyChemical physicsIonOrganic chemistryEmbedded systemComputer scienceElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceMachine Learning in Materials Science