Accelerating the Reduction Kinetics of V 4+ to V 3+ on Atomically Fe─N 4 Decorated Carbon Nanotubes for Vanadium Electrolyte Preparation

The high manufacturing cost of vanadium electrolytes is caused by the sluggish kinetics of V to V , which restricts the commercialization of all vanadium flow batteries (VFBs). Here, density functional theory calculations first reveal the detailed reaction pathway and point out the rate-determined s...

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Veröffentlicht in:Small (Weinheim an der Bergstrasse, Germany) Germany), 2024-12, Vol.20 (50), p.e2405827
Hauptverfasser: Niu, Shiyang, Li, Haopeng, Guo, Hui, Liu, Yong, Cheng, Yuanhui
Format: Artikel
Sprache:eng
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Zusammenfassung:The high manufacturing cost of vanadium electrolytes is caused by the sluggish kinetics of V to V , which restricts the commercialization of all vanadium flow batteries (VFBs). Here, density functional theory calculations first reveal the detailed reaction pathway and point out the rate-determined step by the desorption of the end product [V(H O) ] . Catalytic site engineering at the molecular level can optimize the adsorption energy of [V(H O) ] to boost the kinetics. Furthermore, iron single-atoms embedded nitrogen-doped carbon nanotubes (FeSA/NCNT) are designed to decrease the adsorption energy of [V(H O) ] . The reaction rate constant of FeSA/NCNT toward V to V is 1.62 × 10  cm s , 37.5 times that of the commercial carbon catalyst. Therefore, the energy consumption is reduced by 22.5%. Meanwhile, the prepared vanadium electrolyte is of high quality with the ideal oxidation state of + 3.5 without impurities. This work reveals the catalytic mechanism of V to V and proposes a simple but practical strategy to reduce the preparation cost of V electrolyte.
ISSN:1613-6810
1613-6829
DOI:10.1002/smll.202405827