Please join Yale Chemistry for a Thesis Seminar with William Lake, Johnson Lab.
Title: ”Investigations into Nanoscale Electric Fields near Surfaces and Ions with Computational Vibrational Probes”
Abstract: Innovation in green energy technologies is a constant push forward, requiring intricate knowledge of the physical phenomena that inform the design of batteries or fuel cells. As the transition away from fossil fuel-based energy sources continues, the demand for more advanced and intricate tech-based energy solutions grows. In this work, I use computational models of vibrational probe molecules to push this fundamental understanding. Computational models of benzonitrile-based probes suggest interpretations of experimental data on a variety of systems, including tracking some of the most basic reactions integral to surface chemistry. Major focuses of the insights of the work include disentangling the causes of vibrational frequency shifts in benzonitriles.