Computational study of Fe- and Mn-decocted hexagonal boron nitride for hydrogen storage applications
Muhammad Isa Khan, Muhammad Usman Amin, Saeed Ahmad Buzdar, Ghulam Nabi, Muhammad Bilal Tahir, Saleh S. Alarfaji
Topics & Concepts
Hydrogen storagevan der Waals forceDesorptionHydrogenMoleculeAdsorptionHexagonal boron nitrideBinding energyDensity functional theoryChemistryBoron nitrideBoronThermal stabilityHexagonal crystal systemChemical physicsMaterials sciencePhysical chemistryCrystallographyNanotechnologyComputational chemistryAtomic physicsPhysicsOrganic chemistryGrapheneHydrogen Storage and MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research