Location: EER 3.646 or by Zoom: 828 685 7838
Sponsor: Department of Energy (DOE) Energy Frontier Research Center (EFRC) Materials for Water and Energy Systems (M-WET)
Title: "Molecular Scale Modeling of Polymer Electrolytes"
Abstract
Molecular dynamics simulations and quantum chemistry calculations provide insight into the structure and ion transport mechanisms of battery electrolytes, guiding electrolyte development. In the first part of my presentation, Dr. Borodin will discuss the molecular scale mechanisms leading to improved aprotic electrolyte electrochemical stability on both anodes and high voltage cathodes in lithium batteries. Next, he will discuss the transport mechanisms in battery electrolytes obtained from MD simulations and the lithium cation transfer between different phases.
Bio
Oleg A. Borodin is a scientist at the Battery Science Branch in the Energy Science Laboratory of DEVCOM U.S. Army Research Laboratory (ARL), which he joined in 2010. Dr. Borodin completed his Ph.D. degree in Chemical Engineering at the University of Utah in 2000, where he continued working as a research assistant professor until joining ARL.
His current research focuses on the molecular scale modeling of battery electrolytes, electrochemical interfaces, and the reactivity and electrochemical stability of electrolytes at electrodes. Together with the experimental counterparts, he explores the mechanisms of ionic transport and its connection to transference number and conductivity, which are key factors behind the electrochemical reactivity of electrolytes at electrodes, and the role that electrochemical double layer (EDL) structure plays in improving or degrading electrolyte stability, degradation, and ion transport.He has co-authored more than 240 papers in peer-reviewed journals, 6 book chapters, >100 conference presentations, and over 45,000 citations. Recently, he has focused on guiding electrolyte design for lithium metal and lithium-ion batteries, aqueous zinc batteries, and magnesium non-aqueous batteries via molecular dynamics simulations and quantum chemistry.