Stable dioxin-linked metallophthalocyanine covalent organic frameworks as trifunctional electrocatalysts for overall water splitting and oxygen reduction: A combining density functional theory and machine learning study
Song Lu, Yi Ding, Jiadi Ying, Tiancun Liu, Qiang Li, Yong Wu, Yafei Zhao, Zhixin Yu
Topics & Concepts
BifunctionalDensity functional theoryCatalysisWater splittingOxygen evolutionMonolayerHydrogenElectrocatalystElectrochemistryMaterials scienceCovalent bondChemical physicsTransition metalChemistryOxygenHydrogen productionNanotechnologyHybrid functionalElectronHydrogen fuelReaction mechanismMetalComputational chemistryArtificial photosynthesisHeterogeneous catalysisPhysical chemistryElectron densityElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesAdvanced Memory and Neural Computing