Evaluation of C18 as a reversible hydrogen storage material by first-principles calculations
Jiazhuo Wang, Yichao Liu, Zih-Chun Dai, Bo Li, Lei Feng, Xihao Chen, Longxin Zhang, Fuqiang Zhai, Peng Gao
Topics & Concepts
Hydrogen storageGravimetric analysisAdsorptionMonolayerHydrogenvan der Waals forceDensity functional theoryChemisorptionChemistryChemical physicsMaterials scienceKinetic energyEnergy storageElectronic structureThermodynamicsBinding energyCryo-adsorptionOrbital hybridisationComputational chemistryPhysical chemistryPhysisorptionAtomic orbitalInteraction energyMolecular orbitalHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchAdvancements in Battery Materials