Insight into the adsorption properties of CO2 and H2 gas on the B12Y12 (Y N, P, As, Sb) nanocages from host-guest interaction perspective
Arini Amalia Choir, Silmi Rahma Amelia, Muhamad Abdulkadir Martoprawiro, Yuly Kusumawati, Atthar Luqman Ivansyah
Topics & Concepts
NanocagesAdsorptionNatural bond orbitalDensity functional theoryHOMO/LUMOChemistryMoleculeMolecular orbitalComputational chemistryPhysical chemistryChemical physicsNanotechnologyMaterials scienceOrganic chemistryCatalysisBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and AlloysFullerene Chemistry and Applications