Structures of Ni-doped B (n = 1–13) clusters: A computational study
Peter L. Rodríguez‐Kessler, Alejandro Vásquez‐Espinal, Adán R. Rodríguez‐Domínguez, José L. Cabellos-Quiroz, Alvaro Muñoz‐Castro
Topics & Concepts
ChemistryIonization energyDensity functional theoryBoronPlanarElectron affinity (data page)DopantBinding energyCrystallographyDopingIonizationHOMO/LUMOMolecular physicsComputational chemistryAtomic physicsMoleculeCondensed matter physicsPhysicsIonComputer scienceOrganic chemistryComputer graphics (images)Boron and Carbon Nanomaterials ResearchGraphene research and applicationsMXene and MAX Phase Materials