Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system
Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani, Muhammad Imran, Tariq Mahmood
Topics & Concepts
OverpotentialOxygen evolutionElectrolysis of waterCatalysisDensity functional theoryChemistryHydrogenWater splittingTransition metalElectrocatalystElectrolysisChemical physicsNanotechnologyMaterials scienceComputational chemistryPhysical chemistryElectrodeBiochemistryOrganic chemistryElectrochemistryElectrolytePhotocatalysisElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science