Hydrogen storage capacity and reversibility of Li-decorated B4CN3 monolayer revealed by first-principles calculations
Minming Jiang, Jiang Xu, Paul Munroe, Zonghan Xie
Topics & Concepts
MonolayerHydrogen storageGravimetric analysisDensity functional theoryAdsorptionDesorptionHydrogenMaterials scienceWork (physics)MoleculeChemical physicsPhysical chemistryChemistryNanotechnologyComputational chemistryThermodynamicsOrganic chemistryPhysicsHydrogen Storage and MaterialsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research