Strongly bound atomic clusters are often used as ideal models for the active sites in bulk materials.  We present here recent investigations on semiconductor clusters doped with transition metal atoms, focusing on platinum group doped silicon clusters. The small clusters presented here contain between 2 and 20 atoms. Theoretically, our primarily undergraduate group at Murray State University (MSU) utilize global optimization techniques to search for low energy candidate geometric isomers, and perform high level calculations exploring the unique properties of the global minimum structures.  Experimentally, planned matrix isolation experiments on these systems currently being assembled at MSU will be presented.  Of particular interest in these investigations are the transition between exohedral and endoheral doped clusters, noted differences between dopant atom types and concentrations, and unique structures of these doped clusters.

Structures, properties, and reactivity of platinum group transition metal doped silicon clusters

ACS Fall 2021

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