Wave function analyses of scandium-doped aluminium clusters, AlnSc (<i>n</i>= 1–24), and their CO<sub>2</sub>fixation abilities
José Manuel Guevara‐Vela, Arturo Sauza‐de la Vega, Miguel Gallegos, Ángel Martín Pendás, Tomás Rocha‐Rinza
Abstract
. Concomitantly, the carbon dioxide molecule is considerably distorted and destabilised, conditions which might prepare it for further chemical reactions. Altogether, this paper gives valuable insights on the tuning of the properties of metallic clusters for their design and exploitation in custom-made materials.
Topics & Concepts
ScandiumDopingAluminiumMoleculeAdsorptionMaterials scienceChemistryCrystallographyAtomic physicsChemical physicsPhysical chemistryPhysicsInorganic chemistryMetallurgyOptoelectronicsOrganic chemistryAdvanced Chemical Physics StudiesBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys