Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo- <i>vs.</i> exohedral geometry
Kento Minamikawa, Shun Sarugaku, Masashi Arakawa, Akira Terasaki
Abstract
(M = Sc-Ni) clusters to examine their stability through chemical reactivity, enabling systematic control of the number of valence electrons by the cluster size, the charge state, and the transition-metal element across the periodic table. It is revealed for 18-valence-electron clusters that 3d electrons participate in electron counting to show exceptional stability only when the transition-metal atom is endohedrally doped, except for Cr and Mn doping that forces 3d electrons to localize. We thus present new entries for superatomic metal clusters as well as a geometric factor that regulates the behavior of 3d electrons in the nanoscale regime.
Topics & Concepts
Valence electronElectronCluster (spacecraft)Transition metalElectron countingAtom (system on chip)DopingAtomic physicsMetalChemical physicsValence (chemistry)ChemistryCrystallographyMaterials sciencePhysicsCondensed matter physicsOrganic chemistryBiochemistryCatalysisEmbedded systemProgramming languageComputer scienceQuantum mechanicsNanocluster Synthesis and ApplicationsAdvanced Chemical Physics StudiesMolecular Junctions and Nanostructures