Hydrogen storage by spillover on Ni4 cluster embedded in three vacancy graphene. A DFT and dynamics study
R.E. Ambrusi, V. Orazi, J.M. Marchetti, A. Juan, M.E. Pronsato
Topics & Concepts
Vacancy defectHydrogenHydrogen spilloverChemical physicsCluster (spacecraft)GrapheneDensity functional theoryHydrogen storageMaterials scienceMolecular dynamicsSubstrate (aquarium)Ab initioNanotechnologyChemistryComputational chemistryCrystallographyOceanographyComputer scienceOrganic chemistryGeologyProgramming languageHydrogen Storage and MaterialsGraphene research and applicationsAmmonia Synthesis and Nitrogen Reduction