Theoretical investigation of HER/OER/ORR catalytic activity of single atom-decorated graphyne by DFT and comparative DOS analyses
Mingming Guo, Mingjuan Ji, Wei Cui
Topics & Concepts
CatalysisDensity functional theoryGraphyneSubstrate (aquarium)Materials scienceTransition metalOxygen evolutionNanotechnologyElectronic structureDopingPhysical chemistryChemical engineeringChemical physicsComputational chemistryChemistryElectrochemistryOptoelectronicsOrganic chemistryOceanographyGeologyEngineeringElectrodeElectrocatalysts for Energy ConversionAdvancements in Battery MaterialsAdvanced Photocatalysis Techniques