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A density functional theory study on the electronic and adsorption characteristics of cyclo M9N9 (M = B and Al)

Xiufang Hou, Yuxin Ren, Feng Fu

2020Journal of Molecular Modeling26 citationsDOI

Topics & Concepts

AdsorptionElectronegativityMoleculeChemistryAtom (system on chip)Computational chemistryDensity functional theoryIonic bondingAtoms in moleculesCrystallographyPhysical chemistryOrganic chemistryIonComputer scienceEmbedded systemBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsHydrogen Storage and Materials
A density functional theory study on the electronic and adsorption characteristics of cyclo M9N9 (M = B and Al) | Litcius