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On the influence of nucleation and growth of S8 and Li2S in lithium-sulfur batteries

Danner, Timo and Latz, Arnulf (2019) On the influence of nucleation and growth of S8 and Li2S in lithium-sulfur batteries. Electrochimica Acta (322), p. 134719. Elsevier. doi: 10.1016/j.electacta.2019.134719. ISSN 0013-4686.

[img] PDF - Only accessible within DLR bis 1 January 2023 - Postprint version (accepted manuscript)

Official URL: https://www.sciencedirect.com/science/article/pii/S0013468619315907?via%3Dihub


Lithium-sulfur (Li–S) batteries have the potential to outperform state-of-the-art lithium-ion batteries. One of the bottle necks is the limited power density which most conversion based systems have in common. One of the reasons is the formation of solid, insulating charge and discharge products which passivate active surfaces during operation of the cell. In depth knowledge of the formation and dissolution is needed in order to develop counter-measures overcoming the current limitations. In this article we present a continuum model of Li–S batteries including a detailed description of the formation and dissolution of solid particles based on the classical theory of nucleation and growth. By evolving a particle size distribution of the Li2S and S8 phase we are able to provide a qualitative description of the resulting particle morphology as well as their effect on active surface areas and transport processes. Results of the simulations are in agreement with experimental data published in the literature. We perform intensive parameter studies which provide guidelines for the development of surface modifications enabling a spatial control of solid discharge product precipitation resulting in improved battery performance.

Item URL in elib:https://elib.dlr.de/132132/
Document Type:Article
Title:On the influence of nucleation and growth of S8 and Li2S in lithium-sulfur batteries
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:23 August 2019
Journal or Publication Title:Electrochimica Acta
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1016/j.electacta.2019.134719
Page Range:p. 134719
Keywords:Lithium-sulfur batteries; Continuum modeling; Nucleation and growth; Carbon doping; Spatial control
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Prcesses (Batteries) (old)
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Danner, Timo
Deposited On:19 Dec 2019 15:43
Last Modified:19 Dec 2019 15:43

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