Electronic Structure and Stability of Ligated Superatoms and Bimetallic Clusters

Author

William H. Blades, VCU Department of PhysicsFollow

DOI

https://doi.org/10.25772/CJN8-GR16

Defense Date

2016

Document Type

Thesis

Degree Name

Master of Science

Department

Physics and Applied Physics

First Advisor

Dr. Shiv N. Khanna

Second Advisor

Dr. Marilyn F. Bishop

Third Advisor

Dr. Alenka Luzar

Abstract

Quantum confinement in small metal clusters leads to a bunching of states into electronic shells reminiscent of shells in atoms. The addition of ligands can tune the valence electron count and electron distribution in metal clusters. A combined experimental and theoretical study of the reactivity of methanol with Al_nI_m⁻ clusters reveals that ligands can enhance the stability of clusters. In some cases the electronegative ligand may perturb the charge density of the metallic core generating active sites that can lead to the etching of the cluster. Also, an investigation is conducted to understand how the bonding scheme of a magnetic dopant evolves as the electronic structure of the host material is varied. By considering VCu_n⁺, VAg_n⁺, and VAu_n⁺ clusters, we find that the electronic and atomic structure of the cluster plays a major role in determining how an impurity will couple to its surroundings.

Rights

© The Author

Is Part Of

VCU University Archives

Is Part Of

VCU Theses and Dissertations

Date of Submission

5-11-2016