Defense Date

2019

Document Type

Thesis

Degree Name

Master of Science

Department

Physics and Applied Physics

First Advisor

Dr. Shiv N. Khanna

Abstract

We have investigated the size-dependent stability and structure of benzene, aluminum-benzene, and vanadium-benzene clusters. Motivated by gas-phase experimental studies performed by an experimental collaborator, we have used first-principle electronic structure methods to identify the structure of Al+(Bz)n, V+(Bz)n, and Bzn clusters. Our studies reveal that cationic aluminum-benzene clusters have a magic number of 13, and that its high stability may be understood by analyzing the structure of the cluster. We also investigate the structure of vanadium-benzene clusters which have a magic number of 2. Here I examine the benzene-cation and benzene-benzene interactions that lead to these magic numbers, as well as their geometric shell structures and their formation/solvation.

Rights

© Daniel P. Rabayda

Is Part Of

VCU University Archives

Is Part Of

VCU Theses and Dissertations

Date of Submission

5-7-2019

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