CHBE Seminar: Dr. Betul Uralcan, Bogazici University
Friday, September 22, 2023
Room 2108 Chemical and Nuclear Engineering Building
301 405 1935
Unraveling the Complexity of Charge Storage in Nanopores for Enhanced Energy Storage: Insights from Molecular Simulations and Design Strategies
Abstract: Electrical double layer capacitors (EDLCs) operate by storing electrical charges at the interface between an electrolyte and a high-surface-area electrode. Unlike batteries, which often face limitations due to slow charging and mass transfer kinetics, the energy storage mechanism of EDLCs relies on physical interactions, resulting in high power densities and the ability to undergo millions of charge-discharge cycles. However, the widespread adoption of EDLCs has been hindered by their relatively low energy density. Optimizing the energy storage performance of EDLCs is thus desirable to promote their competitiveness in energy storage applications, and is linked to rationally optimizing the key descriptors that affect energy storage performance metrics. In this talk, I will share results from molecular dynamics simulations of EDLCs using a library of ordered and disordered carbon electrode materials to elucidate the effects of pore topology and electrolyte properties on energy storage performance. These findings will provide novel insights on how micropore structure and solvation characteristics synergistically influence charging kinetics and equilibrium behavior. I will then discuss how data-driven methods can be used to predict characteristic charging time and capacitance from initial charging data. Lastly, I will explore the translation of the insights gained from modeling into the design of macroscopic-level devices.
Bio: Betul Uralcan is an Assistant Professor in the Department of Chemical Engineering and a Fellow at the Polymer Research Institute at Bogazici University. She obtained her B.S. in Chemical Engineering from Bogazici University in 2013, and completed her Ph.D. in Chemical Engineering at Princeton University in 2019 under the supervision of Pablo G. Debenedetti. Uralcan’s research group currently conducts fundamental computational and theoretical research on the structure and dynamics of condensed matter, focusing on systems relevant to emerging challenges in biotechnology and energy science.