Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox

Jing  Yu; Ivan  Pinto-Huguet; Chao Yue  Zhang; Yingtang  Zhou; Yaolin  Xu; Alen  Vizintin; Juan-Jesús  Velasco-Vélez; Xueqiang  Qi; Xiaobo  Pan; Gozde  Oney; Annabel  Olgo; Katharina  Märker; Leonardo M.  Da Silva; Yufeng  Luo; Yan  Lu; Chen  Huang; Eneli  Härk; Joe Fleming; Pascale Chenevier; Andreu Cabot; Yunfei Bai; Marc Botifoll; Ashley P. Black; Qi An; Tazdin Amietszajew; Jordi Arbiol

doi:10.1021/acsenergylett.4c02703

Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox

Jing Yu, Ivan Pinto-Huguet, Chao Yue Zhang, Yingtang Zhou, Yaolin Xu, Alen Vizintin, Juan-Jesús Velasco-Vélez, Xueqiang Qi, Xiaobo Pan, Gozde Oney, Annabel Olgo, Katharina Märker, Leonardo M. Da Silva, Yufeng Luo, Yan Lu, Chen Huang, Eneli Härk, Joe Fleming, Pascale Chenevier, Andreu CabotYunfei Bai, Marc Botifoll, Ashley P. Black, Qi An, Tazdin Amietszajew, Jordi Arbiol

Centre for E-Mobility and Clean Growth

Research output: Contribution to journal › Review article › peer-review

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Abstract

Batteries based on sulfur cathodes offer a promising energy storage solution due to their potential for high performance, cost-effectiveness, and sustainability. However, commercial viability is challenged by issues such as polysulfide migration, volume changes, uneven phase nucleation, limited ion transport, and sluggish sulfur redox kinetics. Addressing these challenges requires insights into the structural, morphological, and chemical evolution of phases, the associated volume changes and internal stresses, and ion and polysulfide diffusion within the battery. Such insights can only be obtained through real-time reaction monitoring within the battery's operational environment, supported by molecular dynamics simulations and advanced artificial intelligence-driven data analysis. This review provides an overview of in situ/operando techniques for real-time tracking of these processes in sulfur-based batteries and explores the integration of simulations with experimental data to provide a holistic understanding of the critical challenges, enabling advancements in their development and commercial adoption.

Original language	English
Pages (from-to)	6178-6214
Number of pages	37
Journal	ACS Energy Letters
Volume	9
Issue number	12
Early online date	4 Dec 2024
DOIs	https://doi.org/10.1021/acsenergylett.4c02703
Publication status	Published - 13 Dec 2024

Bibliographical note

Funding

ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. This study is part of the Advanced Materials programme and was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya. The authors thank support from the project AMaDE (PID2023-149158OB-C43), funded by MCIN/AEI/10.13039/501100011033/and by “ERDF A way of making Europe”, by the “European Union”. ICN2 is supported by the Severo Ochoa program from Spanish MCIN/AEI (Grant No.: CEX2021-001214-S) and is funded by the CERCA Programme/Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autò noma de Barcelona Materials Science PhD program. I.P.H. acknowledges funding from AGAUR-FIscholarship (2023FI-00268) Joan Oró of the Secretariat of Universities of the Generalitat of Catalonia and the European SocialPlus Fund. ICN2 is founding member of e-DREAM. J.Y.and C.H. thank the China Scholarship Council for the financial support. A.V. thanks financial support from the Slovenian Research and Innovation Agency (ARIS) under research core program P2-0423. J.Y. and A.C. acknowledge support from the 2BoSS project of the ERA-MIN3 program with the Spanish grant number PCI2022-132985/AEI/10.13039/501100011033, the Generalitat de Catalunya 2021SGR01581and European Union Next Generation EU/PRTR. P.C. acknowledges support from the 2BoSS project of the ERA-MIN3 program with the French grant number ANR-22-MIN3-0003-01 from Agence Nationale de la Recherche. C.Y.Z. acknowledge the support by the Supercomputing Center of Lanzhou University, China. We acknowledge financial support from the European Union (Grant agreement No. 101104006 - HEALING BAT - HORIZON-CL5-2022-D2-01).

Funders	Funder number
Generalitat de Catalunya	2021SGR00457
European Union	PRTR-C17.I1, 101104006 - HEALING BAT - HORIZON-CL5-2022-D2-01
Ministry of Science, Innovation and Universities	PID2023-149158OB-C43, CEX2021-001214-S

Keywords

Batteries
Electrochemical Cells and Variable cathodes
Electrodes
Electrolytes
Sulfur

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Amietszajew2024VoRFinal published version, 4.82 MBLicence: CC BY

Cite this

Yu, J., Pinto-Huguet, I., Zhang, C. Y., Zhou, Y., Xu, Y., Vizintin, A., Velasco-Vélez, J.-J., Qi, X., Pan, X., Oney, G., Olgo, A., Märker, K., Da Silva, L. M., Luo, Y., Lu, Y., Huang, C., Härk, E., Fleming, J., Chenevier, P., ... Arbiol, J. (2024). Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox. ACS Energy Letters, 9(12), 6178-6214. https://doi.org/10.1021/acsenergylett.4c02703

Yu, J, Pinto-Huguet, I, Zhang, CY, Zhou, Y, Xu, Y, Vizintin, A, Velasco-Vélez, J-J, Qi, X, Pan, X, Oney, G, Olgo, A, Märker, K, Da Silva, LM, Luo, Y, Lu, Y, Huang, C, Härk, E, Fleming, J, Chenevier, P, Cabot, A, Bai, Y, Botifoll, M, Black, AP, An, Q, Amietszajew, T & Arbiol, J 2024, 'Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox', ACS Energy Letters, vol. 9, no. 12, pp. 6178-6214. https://doi.org/10.1021/acsenergylett.4c02703

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abstract = "Batteries based on sulfur cathodes offer a promising energy storage solution due to their potential for high performance, cost-effectiveness, and sustainability. However, commercial viability is challenged by issues such as polysulfide migration, volume changes, uneven phase nucleation, limited ion transport, and sluggish sulfur redox kinetics. Addressing these challenges requires insights into the structural, morphological, and chemical evolution of phases, the associated volume changes and internal stresses, and ion and polysulfide diffusion within the battery. Such insights can only be obtained through real-time reaction monitoring within the battery's operational environment, supported by molecular dynamics simulations and advanced artificial intelligence-driven data analysis. This review provides an overview of in situ/operando techniques for real-time tracking of these processes in sulfur-based batteries and explores the integration of simulations with experimental data to provide a holistic understanding of the critical challenges, enabling advancements in their development and commercial adoption.",

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AU - Velasco-Vélez, Juan-Jesús

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AU - Huang, Chen

AU - Härk, Eneli

AU - Fleming, Joe

AU - Chenevier, Pascale

AU - Cabot, Andreu

AU - Bai, Yunfei

AU - Botifoll, Marc

AU - Black, Ashley P.

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AU - Amietszajew, Tazdin

AU - Arbiol, Jordi

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AB - Batteries based on sulfur cathodes offer a promising energy storage solution due to their potential for high performance, cost-effectiveness, and sustainability. However, commercial viability is challenged by issues such as polysulfide migration, volume changes, uneven phase nucleation, limited ion transport, and sluggish sulfur redox kinetics. Addressing these challenges requires insights into the structural, morphological, and chemical evolution of phases, the associated volume changes and internal stresses, and ion and polysulfide diffusion within the battery. Such insights can only be obtained through real-time reaction monitoring within the battery's operational environment, supported by molecular dynamics simulations and advanced artificial intelligence-driven data analysis. This review provides an overview of in situ/operando techniques for real-time tracking of these processes in sulfur-based batteries and explores the integration of simulations with experimental data to provide a holistic understanding of the critical challenges, enabling advancements in their development and commercial adoption.

KW - Batteries

KW - Electrochemical Cells and Variable cathodes

KW - Electrodes

KW - Electrolytes

KW - Sulfur

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Mechanistic Insights and Technical Challenges in Sulfur-Based Batteries: A Comprehensive In Situ/Operando Monitoring Toolbox

Abstract

Bibliographical note

Funding

Keywords

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