Ab initio study of oxygen evolution reaction and hydrogen evolution reaction via water splitting on pure and nitrogen-doped graphene surface
Sadiq Shahriyar Nishat, Md Tohidul Islam, Saquib Ahmed, Alamgir Kabir
Topics & Concepts
GrapheneMaterials scienceWater splittingDensity functional theoryOxygen evolutionCatalysisFermi levelHydrogenChemical physicsElectronegativityAb initioHydrogen productionNanotechnologyPhysical chemistryComputational chemistryElectrochemistryChemistryElectrodePhotocatalysisOrganic chemistryPhysicsBiochemistryElectronQuantum mechanicsElectrocatalysts for Energy ConversionAdvancements in Battery MaterialsAdvanced Photocatalysis Techniques