Reversible hydrogen storage in Ti decorated small boron clusters: Insights from molecular dynamics simulations
Shakti S. Ray, Rakesh K. Sahoo, Sridhar Sahu
Topics & Concepts
PhysisorptionHydrogen storageMolecular dynamicsAdsorptionMoleculeDensity functional theoryReactivity (psychology)Hydrogen bondBoronChemistryMaterials scienceChemical physicsHydrogenPhysical chemistryCrystallographyComputational chemistryOrganic chemistryMedicineAlternative medicinePathologyHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys