Reversible and high-capacity hydrogen storage on two-dimensional monolayer C2N-h2D expected by first-principles calculations
O. Aziz, J. Labrousse, K. Belasfar, R. Essajai, A. El Kenz, A. Benyoussef, O. Mounkachi, Boubker Fares, H. Ez‐Zahraouy
Topics & Concepts
PhysisorptionHydrogen storageAdsorptionGravimetric analysisvan der Waals forceDensity functional theoryMonolayerHydrogenChemistryChemical physicsMoleculeDesorptionPhysical chemistryAb initioAb initio quantum chemistry methodsMaterials scienceComputational chemistryNanotechnologyOrganic chemistryHydrogen Storage and MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research