Exploring the hydrogen storage possibility of the pristine, defected and metals decorated o-B2N2 monolayers: Insights from DFT simulations
Darshil Chodvadiya, Shreya Kanabar, Brahmananda Chakraborty, Prafulla K. Jha
Topics & Concepts
MonolayerHydrogen storageDensity functional theoryHydrogenBinding energyMaterials scienceAdsorptionAlloyPhysical chemistryChemistryInorganic chemistryComputational chemistryNanotechnologyOrganic chemistryAtomic physicsMetallurgyPhysicsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials