Synergy of single atoms and sulfur vacancies for advanced polysulfide–iodide redox flow battery

Zhigui Wang, Guolong Lu, Tianran Wei, Ge Meng (), Haoxiang Cai, Yanhong Feng, Ke Chu (), Jun Luo, Guangzhi Hu, Dingsheng Wang () and Xijun Liu ()
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Zhigui Wang: Wenzhou University
Guolong Lu: Wenzhou University
Tianran Wei: Guangxi University
Ge Meng: Wenzhou University
Haoxiang Cai: Guangxi University
Yanhong Feng: Guangxi University
Ke Chu: Lanzhou Jiaotong University
Jun Luo: University of Electronic Science and Technology of China
Guangzhi Hu: Yunnan University
Dingsheng Wang: Tsinghua University
Xijun Liu: Guangxi University

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract Aqueous redox flow batteries (RFBs) incorporating polysulfide/iodide chemistries have received considerable attention due to their safety, high scalability, and cost-effectiveness. However, the sluggish redox kinetics restricted their output energy efficiency and power density. Here we designed a defective MoS2 nanosheets supported Co single-atom catalyst that accelerated the transformation of S2−/Sx2− and I−/I3− redox couples, hence endow the derived polysulfide–iodide RFB with an initial energy efficiency (EE) of 87.9% and an overpotential of 113 mV with an average EE 80.4% at 20 mA cm−2 and 50% state-of-charge for 50 cycles, and a maximal power density of 95.7 mW cm−2 for an extended cycling life exceeding 850 cycles at 10 mA cm−2 and 10% state-of-charge. In situ experimental and theoretical analyses elucidate that Co single atoms induce the generation of abundant sulfur vacancies in MoS2 via a phase transition process, which synergistically contributed to the enhanced adsorption of reactants and key reaction intermediates and improved charge transfer, resulting in the enhanced RFB performance.

Date: 2025
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DOI: 10.1038/s41467-025-58273-9

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