Modeling the dependence of electrolyte design on lithium-sulfur battery performance

• Published in: Materials research bulletin 2024-12, Vol.180, p.112997, Article 112997
• Main Authors: Firtin, Ayca, Yuksel, Kagan, Karaseva, Elena V., Kuzmina, Elena V., Kolosnitsyn, Vladimir S., Eroglu, Damla
• Format: Article
• Language: English
• Subjects: Electrochemical modeling; Electrolyte design; Electrolyte-to-sulfur ratio; Lithium-sulfur batteries
• ISSN: 0025-5408
• DOI: 10.1016/j.materresbull.2024.112997

•0-D and 1-D electrochemical models for the Li-S battery are offered.•The effect of the E/S ratio on discharge performance is predicted.•The impact of electrolyte properties on discharge performance is projected.•0-D model is less sensitive than 1-D model in terms of the predicted capacity. Herein, we offer two electrochemical models, a zero-dimensional (0-D) and a one-dimensional (1-D) model, to mechanistically explore the impact of the electrolyte-to-sulfur (E/S) ratio and electrolyte properties on the discharge behavior of a lithium-sulfur (Li-S) cell. The electrochemically active area in both models is defined based on the carbon weight fraction and reference porosity, so the influence of the carbon loading and E/S ratio on the reaction kinetics is included. Mass transfer of the species must be considered to model the reliance of the discharge capacity on the current density. Instead, the 0-D model is more responsive to the influence of the E/S ratio on the discharge capacity. The effect of electrolyte properties can be modeled implicitly through model parameters. The 0-D model is less sensitive to the variance in model parameters than the 1-D model in terms of the predicted capacity. [Display omitted]