A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6–8)
Siraj Ud Daula Shamim, Tashrifa Hussain, Md. Rakib Hossian, Md. Kamal Hossain, Farid Ahmed, Tahmina Ferdous, Md. Abul Hossain
Topics & Concepts
NanoclustersDensity functional theoryMagnetic momentBinding energyElectronic structureMaterials scienceCluster (spacecraft)BoronX-ray photoelectron spectroscopyHOMO/LUMOElectron affinity (data page)Ionization energyCrystallographyChemistryChemical physicsComputational chemistryNanotechnologyIonizationAtomic physicsCondensed matter physicsMoleculeNuclear magnetic resonancePhysicsIonOrganic chemistryComputer scienceProgramming languageBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryNanocluster Synthesis and Applications