A simple general descriptor for rational design of graphyne-based bifunctional electrocatalysts toward hydrogen evolution and oxygen reduction reactions
Yuan Yuan, Jiapeng Ma, Hongqi Ai, Baotao Kang, Jin Yong Lee
Topics & Concepts
BifunctionalGraphyneRational designDensity functional theoryCatalysisGibbs free energyAdsorptionChemistryCombinatorial chemistryPlatinumComputational chemistryHydrogen bondBifunctional catalystNanotechnologyMaterials scienceMoleculePhysical chemistryThermodynamicsOrganic chemistryPhysicsElectrocatalysts for Energy ConversionAdvancements in Battery MaterialsFuel Cells and Related Materials