The Chemical and Biological Engineering Department is pleased to present the 18th Annual Richard S.H. Mah Lectures on Modeling and Computation in Chemical and Biological Engineering with Dr. Perla B. Balbuena from Texas A&M University.

Departmental Lecture: Thursday, October 26 at 9:30am in Frances Searle 1421

Perla B. Balbuena will present her second lecture titled "Theoretical and Computational Analyses of Battery Materials and Interfaces."

ABSTRACT: Rechargeable batteries are complex electrochemical devices with performances dominated by interfacial behavior. Theory and computation at various length and time scales starting from first principles atomistic models have shown success to elucidate multiscale phenomena observed at the cell level. Here we will discuss our current understanding of the overall cell performance of lithium metal batteries based on analysis of interfacial phenomena including ion and electron transport, and passivation layers. Specifically, we will focus on the critical role that the solid electrolyte interphase (SEI) formed on highly reactive Li metal anodes may play on battery performance and cycle life. I will discuss first-principles based methodologies that allow for a rapid and accurate determination of the SEI nucleation morphologies and compositions for a given electrolyte and how these SEI structures and compositions may determine passivation behavior for a given electrolyte. Finally, I will introduce coarse-grained models to analyze the impact that these SEI characteristics may have on longer times SEI growth and the interplay of these phenomena with Li metal deposition and growth.

Prof. Balbuena joined the chemical engineering department at Texas A&M University as a full professor in 2004. She currently holds the Mike O'Connor Chair I in Chemical Engineering and is an affiliated faculty in Materials Science and Engineering since 2006, and joint professor of Chemistry since 2016. In 2023 she was elected University Distinguished Professor at Texas A&M University. She is a Fellow of the American Association for the Advancement of Science, the American Institute of Chemical Engineers, and the Electrochemical Society. She has published 348 peer-reviewed articles in her fields of specialization.

Bagels and coffee will be provided at 9:30am, and the seminar will start at 9:40am. Please plan to arrive on time to grab a bagel and mingle!

*Please note that there will be no Zoom option for seminars this year.