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Atomic And Electronic Structure Of A Ligand-Protected Bimetallic Nanocluster, Ag4ni2(Dmsa)4, Anthony F. Pedicini

Theses and Dissertations

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 …