Elucidating the hydrogen adsorption mechanism in bare and TMs (Ni, Pd and Cd) decorated Al12P12, B12P12 and C24 nanocages for hydrogen storage via DFT study
Divyakaaviri Subramani, Deepak Arumugam, Akilesh Muralidharan, R. Shankar
Topics & Concepts
NanocagesHydrogen storageAdsorptionHydrogenDensity functional theoryMechanism (biology)Materials scienceChemistryChemical engineeringPhysical chemistryComputational chemistryPhysicsCatalysisBiochemistryOrganic chemistryEngineeringQuantum mechanicsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchAdvancements in Battery Materials