Revealing the oxygen Reduction/Evolution reaction activity origin of Carbon-Nitride-Related Single-Atom catalysts: Quantum chemistry in artificial intelligence
Xuhao Wan, Wei Yu, Huan Niu, Xiting Wang, Zhaofu Zhang, Yuzheng Guo
Topics & Concepts
CatalysisDensity functional theoryOxygen evolutionNitrideCarbon nitrideChemistryCarbon fibersAtom (system on chip)Materials scienceComputational chemistryNanotechnologyPhysical chemistryElectrochemistryComputer scienceOrganic chemistryEmbedded systemLayer (electronics)Composite numberPhotocatalysisComposite materialElectrodeElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials