Li-decorated B2O as potential candidates for hydrogen storage: A DFT simulations study
Feng Gao, Yuhua Wei, Jiguang Du, Gang Jiang
Topics & Concepts
MonolayerHydrogen storagePhysisorptionDensity functional theoryHydrogenMoleculeAdsorptionChemical physicsMaterials scienceAb initioChemistryLithium (medication)Computational chemistryPhysical chemistryNanotechnologyOrganic chemistryEndocrinologyMedicineHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials