锂硫电池硫还原反应的催化调控机理及原位表征进展

杨昌恒; 张会刚; 沈子涵; 朱庆山

doi:10.19799/j.cnki.2095-4239.2025.0886

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锂硫电池硫还原反应的催化调控机理及原位表征进展

储能材料与器件 | 更新时间：2026-05-28

- 锂硫电池硫还原反应的催化调控机理及原位表征进展
- Recent advances in catalytic mechanisms and in situ characterization of the sulfur reduction reaction in lithium-sulfur batteries
- 储能科学与技术 2026年15卷第2期页码：435-457
- 作者机构：
  
  1.中国科学院过程工程研究所，北京 100190
  2.中国科学院大学化学工程学院，北京 100049
- 作者简介：
  
  杨昌恒（2001—），男，博士研究生，研究方向为电催化及储能，E-mail：yangchangheng23@mails.ucas.ac.cn；
  沈子涵，助理研究员，研究方向为锂硫电池，E-mail：shenzihan@ipe.ac.cn
  朱庆山，研究员，研究方向为化学工程，E-mail：qszhu@ipe.ac.cn。
- 基金信息：
  
  中国博士后科学基金(2022M723176;2023T160650)
- DOI：10.19799/j.cnki.2095-4239.2025.0886
  中图分类号： TM 911
- 收稿：2025-10-09，
  
  修回：2025-11-06，
  
  纸质出版：2026-02-28
- 稿件说明：
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杨昌恒, 张会刚, 沈子涵, 等. 锂硫电池硫还原反应的催化调控机理及原位表征进展[J]. 储能科学与技术, 2026, 15(2): 435-457.

YANG Changheng, ZHANG Huigang, SHEN Zihan, et al. Recent advances in catalytic mechanisms and in situ characterization of the sulfur reduction reaction in lithium-sulfur batteries[J]. Energy Storage Science and Technology, 2026, 15(2): 435-457.
杨昌恒, 张会刚, 沈子涵, 等. 锂硫电池硫还原反应的催化调控机理及原位表征进展[J]. 储能科学与技术, 2026, 15(2): 435-457. DOI： 10.19799/j.cnki.2095-4239.2025.0886.

YANG Changheng, ZHANG Huigang, SHEN Zihan, et al. Recent advances in catalytic mechanisms and in situ characterization of the sulfur reduction reaction in lithium-sulfur batteries[J]. Energy Storage Science and Technology, 2026, 15(2): 435-457. DOI： 10.19799/j.cnki.2095-4239.2025.0886.

摘要

锂硫电池(LSBs)因其高能量密度、低成本和环境友好等优势，在储能等领域展现出广阔的应用前景。然而，循环过程中多硫化物(LiPS)的穿梭效应会导致活性物质的损失和金属锂负极的腐蚀，严重制约LSBs性能提升。因此，构筑能够高效锚定LiPS并加速其氧化还原转化的高活性催化剂，已成为解决该问题的关键途径。围绕这一问题，本文系统梳理了近年来在晶体结构调控、电子结构调控以及原位表征技术方面的进展。在晶体结构调控方面，本文介绍了活性面调控、晶相设计及异质结构构筑等方法，这些策略通过调节活性位点的几何构型与局域配位环境，可增强LiPS的极性吸附并降低关键转化能垒。在电子结构调控方面，本文概述了能带与轨道调控、电子态优化和自旋态调节等方向，重点阐述电子分布、轨道耦合特性与载流子迁移行为对界面反应动力学的影响机制。此外，本文还总结了各类原位表征技术在解析硫物种演化和界面反应机制中的关键作用，强调其在揭示中间体动态变化与催化位点结构重构方面的独特价值。综合来看，晶体结构与电子结构的协同优化对于促进LiPS的吸附-转化过程至关重要，而先进原位技术正不断深化对催化机理的理解，为高性能LSBs的理性设计提供指导。

Abstract

Lithium-sulfur batteries (LSBs) are highly promising for energy storage applic

ations due to their high energy density

low cost

and environmental friendliness. However

the shuttle effect of lithium polysulfides (LiPS) during cycling causes the loss of active materials and corrosion of the lithium metal anode

severely limiting performance improvements. Designing highly efficient catalysts that can strongly anchor LiPS and accelerate their redox conversion has therefore emerged as a key strategy to address this challenge. Motivated by this goal

this review systematically summarizes recent advances in crystal structure engineering

electronic structure modulation

and

in situ

characterization techniques. For crystal structure regulation

strategies such as active-facet modulation

phase engineering

and heterostructure construction are discussed. These approaches optimize the geometric configuration and local coordination environment of active sites

enhancing the polar adsorption of LiPS and reducing key energy barriers during the conversion process. In terms of electronic structure modulation

this review emphasizes band and orbital engineering

electronic state optimization

and spin-state regulation

with a particular focus on how electronic distribution

orbital coupling

and charge-carrier transport collectively influence interfacial reaction kinetics. Furthermore

various

in situ

techniques

including

in situ

XAS

XRD

Raman spectroscopy

TEM

and ATR-FTIR

are summarized for their critical roles in monitoring sulfur-species evolution and elucidating interfacial reaction mechanisms under realistic operating conditions. Overall

the synergistic optimization of crystal and electronic structures is essential for efficient LiPS adsorption and conversion

while advances in

in situ

characterization provide mechanistic insights and valuable guidance for the rational design of high-performance LSBs.

关键词

Keywords

references

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