Elucidating Charge Carrier Solvation in Biredox Eutectic Electrolytes for Nonaqueous Symmetrical Organic Redox Flow Batteries

IF 19.3 1区材料科学 Q1 CHEMISTRY, PHYSICAL

ACS Energy Letters Pub Date : 2025-03-21 DOI:10.1021/acsenergylett.5c00150

Chengxin Peng, Yunjie Cao, Wanghao Li, Yue Liu, Zhou Zhang, Liang Wang, Wenjing Tang, Ting Yi, Shixue Dou, Yu Zhao

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Abstract

Charge carrier solvation is crucial for mass transfer rates and redox kinetics of redox couples in organic redox flow batteries (ORFBs), yet it remains underexplored. This study employs molecular dynamics simulations to investigate charge carrier solvation in biredox eutectic electrolytes (BEEs) under diverse solvent and salt conditions. Results demonstrate that acetonitrile (ACN) molecules preferentially occupy the primary solvation shell of the bis(trifluoromethanesulfonimide) anions (TFSI^–) in the catholyte and the tetrabutylammonium cations (TBA⁺) in the anolyte, forming charge carrier solvation, thus decoupling the molecular interactions within the BEEs and accelerating the redox kinetics in ORFBs. With an optimized ACN-TBATFSI electrolyte, a prototype symmetrical flow cell can achieve a high output voltage of 2.35 V, high material utilization of 93%, and stable cyclability with a capacity retention rate of 99.97% per cycle after 1200 cycles. This work highlights the potential of modulating the charge carrier solvation to enhance the electrochemical performance of ORFBs.

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来源期刊

ACS Energy Letters Energy-Renewable Energy, Sustainability and the Environment

CiteScore

31.20

自引率

5.00%

发文量

469

审稿时长

1 months

期刊介绍： ACS Energy Letters is a monthly journal that publishes papers reporting new scientific advances in energy research. The journal focuses on topics that are of interest to scientists working in the fundamental and applied sciences. Rapid publication is a central criterion for acceptance, and the journal is known for its quick publication times, with an average of 4-6 weeks from submission to web publication in As Soon As Publishable format. ACS Energy Letters is ranked as the number one journal in the Web of Science Electrochemistry category. It also ranks within the top 10 journals for Physical Chemistry, Energy & Fuels, and Nanoscience & Nanotechnology. The journal offers several types of articles, including Letters, Energy Express, Perspectives, Reviews, Editorials, Viewpoints and Energy Focus. Additionally, authors have the option to submit videos that summarize or support the information presented in a Perspective or Review article, which can be highlighted on the journal's website. ACS Energy Letters is abstracted and indexed in Chemical Abstracts Service/SciFinder, EBSCO-summon, PubMed, Web of Science, Scopus and Portico.