First-principles study of hydrogen storage on Ca-decorated defective boron nitride nanosheets
Liang-Cai Ma, Liang-Cai Ma, Lichun Wang, Yaru Sun, Ling Ma, Ling Ma, Jian‐Min Zhang
Topics & Concepts
Hydrogen storageBoron nitrideVacancy defectDensity functional theoryAdsorptionHydrogenBinding energyGravimetric analysisMaterials scienceMoleculeBoronAtomic orbitalCrystallographyOrbital hybridisationAtom (system on chip)NitrideChemistryPhysical chemistryComputational chemistryNanotechnologyMolecular orbitalAtomic physicsOrganic chemistryMolecular orbital theoryPhysicsLayer (electronics)ElectronQuantum mechanicsComputer scienceEmbedded systemHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials