Tailoring Si12C12 nanocluster with late first-row transition metals: A promising approach during single-atom catalysis toward hydrogen evolution reaction (HER)
Naveen Kosar, Saira Rafiq, Khurshid Ayub, Muhammad Imran, Tariq Mahmood
Topics & Concepts
NanocagesNatural bond orbitalCatalysisAdsorptionTransition metalGibbs free energyHydrogen storageHydrogenChemistryAtom (system on chip)Physical chemistryMaterials scienceChemical physicsDensity functional theoryComputational chemistryThermodynamicsOrganic chemistryPhysicsComputer scienceEmbedded systemElectrocatalysts for Energy ConversionMXene and MAX Phase MaterialsAdvancements in Battery Materials