Hydrogen storage on superalkali NLi4 decorated β12-borophene: A first principles insights
Yafei Zhang, Pingping Liu
Topics & Concepts
BoropheneDensity functional theoryHydrogen storageAdsorptionMonolayerCharge densityChemical physicsMaterials scienceHydrogenMoleculeOrbital hybridisationNanotechnologyChemistryComputational chemistryPhysical chemistryMolecular orbitalPhysicsOrganic chemistryMolecular orbital theoryQuantum mechanicsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials