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Electrocatalysis for Sulfur Reduction Reaction towards Lithium-Sulfur Batteries

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: 31 August 2024 | Viewed by 1535

Special Issue Editors


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Guest Editor
School of Energy and Power Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China
Interests: Li-S batteries; Li-metal batteries; battery management systems; electrocatalysis

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Guest Editor
State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China
Interests: Li-S batteries; solid-state batteries; battery interface; in-situ characterization

Special Issue Information

Dear Colleagues,

The emergence of electric vehicles and smart grids has increased demands for high-performance energy storage systems. Lithium-sulfur batteries are one of the most promising candidates for advanced battery systems due to the merits of extraordinary theoretical energy density, abundant resources, and environmental friendliness. However, the multistep sulfur reduction reaction (SRR) during discharging undergoes sluggish kinetics for lithium-sulfur batteries, resulting in severe polarization and polysulfide shuttling. Electrocatalysis for SRR has been considered as a critical strategy to accelerate the kinetics and suppress the shuttle effect. Therefore, deep insights into the electrocatalytic SRR benefit the design of efficient electrocatalysts towards advanced lithium-sulfur batteries. This Special Issue will focus on the mechanism revealing, design of electrocatalysts, and advanced characterization in understanding the electrocatalytic SRR to achieve the full utilization of lithium-sulfur batteries. Potential topics include, but are not limited to conversion mechanisms of SRR, electrocatalyst materials for SRR, characterization techniques of SRR, and modeling of SRR processes.

Dr. Lei Zhou
Dr. Chunguang Chen
Guest Editors

Manuscript Submission Information

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Keywords

  • lithium–sulfur batteries
  • catalysts
  • characterization
  • mechanisms
  • sulfur reduction reaction
  • polysulfides
  • conversion kinetics

Published Papers (1 paper)

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Review

27 pages, 11207 KiB  
Review
Theoretical Calculations Facilitating Catalysis for Advanced Lithium-Sulfur Batteries
by Xue-Ting Fang, Lei Zhou, Chunguang Chen, Dmitri L. Danilov, Fen Qiao, Haitao Li and Peter H. L. Notten
Molecules 2023, 28(21), 7304; https://doi.org/10.3390/molecules28217304 - 27 Oct 2023
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Abstract
Lithium-sulfur (Li-S) batteries have emerged as one of the most hopeful alternatives for energy storage systems. However, the commercialization of Li-S batteries is still confronted with enormous hurdles. The poor conductivity of sulfur cathodes induces sluggish redox kinetics. The shuttling of polysulfides incurs [...] Read more.
Lithium-sulfur (Li-S) batteries have emerged as one of the most hopeful alternatives for energy storage systems. However, the commercialization of Li-S batteries is still confronted with enormous hurdles. The poor conductivity of sulfur cathodes induces sluggish redox kinetics. The shuttling of polysulfides incurs the heavy failure of electroactive substances. Tremendous efforts in experiments to seek efficient catalysts have achieved significant success. Unfortunately, the understanding of the underlying catalytic mechanisms is not very detailed due to the complicated multistep conversion reactions in Li-S batteries. In this review, we aim to give valuable insights into the connection between the catalyst activities and the structures based on theoretical calculations, which will lead the catalyst design towards high-performance Li-S batteries. This review first introduces the current advances and issues of Li-S batteries. Then we discuss the electronic structure calculations of catalysts. Besides, the relevant calculations of binding energies and Gibbs free energies are presented. Moreover, we discuss lithium-ion diffusion energy barriers and Li2S decomposition energy barriers. Finally, a Conclusions and Outlook section is provided in this review. It is found that calculations facilitate the understanding of the catalytic conversion mechanisms of sulfur species, accelerating the development of advanced catalysts for Li-S batteries. Full article
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