Heterofullerene C48B12-impregnated MOF-5 and IRMOF-10 for hydrogen storage: A combined DFT and GCMC simulations study
Suye Yu, Xianhe Meng, Zhifang Li, Wenqian Zhang, Xin Ju
Topics & Concepts
Hydrogen storageBar (unit)HydrogenMetal-organic frameworkDensity functional theoryAdsorptionMaterials scienceMoleculeHydrogen bondCrystallographyChemistryPhysical chemistryComputational chemistryOrganic chemistryPhysicsMeteorologyMetal-Organic Frameworks: Synthesis and ApplicationsBoron and Carbon Nanomaterials ResearchHydrogen Storage and Materials