David Welch

Date of Award

8-2010

Level of Access Assigned by Author

Campus-Only Thesis

Degree Name

Master of Science (MS)

Department

Chemistry

Advisor

Howard Patterson

Second Committee Member

Roy Turner

Third Committee Member

Jayendran Rasaiah

Abstract

Heterometallic and homometallic nanoclusters of [Ag(CN)2]- and [Au(CN)2]- doped in NaCI, KCI, and NaBr exhibit multiple interesting photophysical phenomenon that are related to the variety of sizes, orientations, and compositions these clusters adapt. Samples of various dopant-host systems have been grown and analyzed with luminescence and Raman spectroscopy. In order to predict what cluster structures occur in these different systems, an atomistic surface model has been developed that probes the energetics of these clusters as they first form at surface kink sites. An order of preference in mixed-metal systems for heterometallic cluster formation over homometallic cluster formation, NaBr > NaCI > KCI, is predicted which agrees with findings on heterometallic cluster peaks in the luminescence spectra. Also, most tested predictions on homometallic cluster size, orientation, and structure selectivity for the single-metal systems correlate well with luminescence and Raman spectra. Structural orientations are predicted to be very different in heterometallic clusters as opposed to homometallic clusters.

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