Exploring single atom catalysts of transition-metal doped phosphorus carbide monolayer for HER: A first-principles study
Dachang Chen, Zhiwen Chen, Xiaoxing Zhang, Zhuole Lu, Song Xiao, Beibei Xiao, Chandra Veer Singh
Topics & Concepts
Tafel equationCatalysisMonolayerTransition metalGibbs free energyCarbideDensity functional theoryChemistryHydrogenAdsorptionPhysical chemistryDopingChemical physicsMaterials scienceInorganic chemistryThermodynamicsComputational chemistryNanotechnologyOrganic chemistryPhysicsOptoelectronicsElectrochemistryElectrodeElectrocatalysts for Energy ConversionMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques