Defense Date


Document Type


Degree Name

Master of Science


Physics and Applied Physics

First Advisor

Shiv N. Khanna


An important direction in nanoscale science is to synthesize materials whereby atomic clusters serve as the building blocks. Properties of these clusters can be controlled through size and composition, and such an approach offers a pathway toward designing larger, customized materials. One way to stabilize such materials is through the use of ligated clusters. Ag4Ni2(DMSA)4 is one such cluster, the first with a bimetallic core, and has been stabilized by the experimental group of A. Sen at The Pennsylvania State University. The theoretical studies undertaken in this thesis were directed toward providing information on the atomic structure, nature of electronic states, optical spectra, and any magnetic information of this new species. Theoretical studies have also been carried out on various clusters to provide input into the fragmentation data obtained through MS/MS experiments.


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Is Part Of

VCU University Archives

Is Part Of

VCU Theses and Dissertations

Date of Submission

May 2013

Included in

Physics Commons