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Modeling of structured electrodes in lithium-sulfur batteries

Danner, Timo and Zhu, Guanchen and Hofmann, Andreas F. and Latz, Arnulf (2015) Modeling of structured electrodes in lithium-sulfur batteries. 12th Symposium on Fuel Cell and Battery Modelling and Experimental Validation, Freiburg, Deutschland.

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Due to their high theoretical capacity lithium-sulfur batteries (Li/S) are envisioned as next-generation storage technology for electric vehicles [1]. However, several challenges obviate a successful commercialization of the battery. Most of them are related to the high solubility of intermediate polysulfide species and the resulting so-called ‘shuttle effect’. The transport of polysulfides between positive and negative electrode causes a decay of capacity and low coulombic efficiency upon cycling. Experimental studies [2] demonstrate that nano-structuring of carbon/sulphur composite electrodes significantly improves the cyclability of the battery. Micro-porous particles [3], hollow carbon spheres (HCS) or carbon nano tubes (CNTs) are used to encapsulate the sulphur and to prevent transport of polysulfides to the anode. In our contribution we present results of a detailed 1D single particle continuum model describing reaction and transport inside a representative spherical particle [4], [5]. On the surface we assume that only lithium ions are able to enter and leave the particle. This relatively simple model gives some interesting insights on the behavior of the particle during battery operation. Most prominently, we identified an additional overpotential during discharge resulting from the transport of Li ions against a concentration gradient into the particle. In a following step we couple the single particle model to a macroscopic model of a full battery cell. Results of the 1+1D full cell simulations are parameterized and validated based on experimental data [3]. Systematic parameter studies reveal the influence of novel electrode geometries on battery performance and are able to guide future improvements in electrode design.

Item URL in elib:https://elib.dlr.de/99753/
Document Type:Conference or Workshop Item (Poster)
Title:Modeling of structured electrodes in lithium-sulfur batteries
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Danner, Timotimo.danner (at) dlr.deUNSPECIFIED
Hofmann, Andreas F.andreas.hofmann (at) dlr.deUNSPECIFIED
Latz, Arnulfarnulf.latz (at) dlr.deUNSPECIFIED
Date:March 2015
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Keywords:Li-Schwefel Batterie, Modellierung, Simulation
Event Title:12th Symposium on Fuel Cell and Battery Modelling and Experimental Validation
Event Location:Freiburg, Deutschland
Event Type:international Conference
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion and Use (old)
HGF - Program Themes:Fuel Cells (old)
DLR - Research area:Energy
DLR - Program:E EV - Energy process technology
DLR - Research theme (Project):E - Electrochemical Processes (old)
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Danner, Timo
Deposited On:24 Nov 2015 14:26
Last Modified:20 Jun 2021 15:47

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