Structure and stability of Cu-doped B (n = 1–12) clusters: DFT calculations
Peter L. Rodríguez‐Kessler, Alejandro Vásquez‐Espinal, Alvaro Muñoz‐Castro
Topics & Concepts
ChemistryDensity functional theoryIonization energyElectron affinity (data page)Binding energyBoronPlanarCrystallographyDopingIonizationElectronic structureCluster (spacecraft)Stability (learning theory)Computational chemistryAtomic physicsMolecular physicsMoleculeIonCondensed matter physicsPhysicsProgramming languageComputer scienceOrganic chemistryMachine learningComputer graphics (images)Boron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and AlloysMXene and MAX Phase Materials