Work

Relativistic DFT investigation of electronic structure effects arising from doping the Au 25 nanocluster with transition metals

Year: 2017

Type: article

Abstract: nanoclusters was investigated for dopant atoms from other families such as Cd, Ag and Pd. Finally, the effect of spin-orbit coupling (SOC) on the electronic structure and absorption spectra was determined. The information in this study regarding the relative energetics of the d-based and super-atom energy levels can be useful to extend our understanding of the preferred doping modes of different transition metals in protected gold nanoclusters.

Source: Nanoscale

DOI: 10.1039/c7nr05214f

Authors: Fahri Alkan, Alvaro Muñoz-Castro, Christine M. Aikens

Institutions: Kansas State University, Universidad Autónoma de Chile

Language: English

Topic: Nanocluster Synthesis and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Division of Chemistry, Fondo Nacional de Desarrollo Científico y Tecnológico

Awards: G2299603143, G4569269425