Alloying ratio versus cluster size for reversible hydrogen storage in 3d transition metal doped small Mg clusters: Dispersion corrected DFT study
Bishwajit Boruah, Bulumoni Kalita
Topics & Concepts
Hydrogen storageHydrogenGravimetric analysisDensity functional theoryPhysisorptionChemisorptionDissociation (chemistry)ChemistryCluster (spacecraft)AdsorptionPhysical chemistryMaterials scienceAnalytical Chemistry (journal)Computational chemistryOrganic chemistryComputer scienceProgramming languageHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionAdvanced Chemical Physics Studies