April 2021 Kentucky Lake Section Meeting
Exploring the Structures and Properties of Strongly Bound Atomic Clusters
Thursday, April 15th @ 7:00 pm
Join Virtually via Zoom
(Meeting ID TBA)
Speaker: Dr. Jonathan T. Lyon, Murray State University
Abstract: Strongly bound atomic clusters are often used as ideal models for the active sites in bulk material. Despite the increased scientific interest in cluster sized particles, open questions remain about the structure, stability, and related properties of specific cluster systems. We present here recent investigations on clusters containing between 2 and 25 atoms. Theoretically, we utilize global optimization procedures to locate new local and global minima candidates. These structures are further optimized with different density functional and ab initio techniques and electronic, vibrational, and internal bonding properties are explored. Complementary experimental matrix isolation infrared experiments currently being assembled will also be discussed. Specific systems presented here include transition metal clusters, doped semiconductor clusters, and metal hydride clusters. Items of particular interest with these systems include novel cluster geometries, cluster size/stability relationships, exohedral to endoheral doped cluster transitions, and hydrogen adsorption energetics.