Li decorated penta-silicene as a high capacity hydrogen storage material: A density functional theory study
Yafei Zhang, Pingping Liu, Xiaoling Zhu
Topics & Concepts
SiliceneHydrogen storageDensity functional theoryAdsorptionHydrogenMaterials scienceAb initioBinding energyChemical physicsDesorptionMoleculeOrbital hybridisationSubstrate (aquarium)Hydrogen atomPhysical chemistryComputational chemistryChemistryNanotechnologyMolecular orbitalMolecular orbital theoryAtomic physicsGraphenePhysicsOrganic chemistryGeologyAlkylOceanographyHydrogen Storage and MaterialsGraphene research and applicationsAdvanced Battery Materials and Technologies