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 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 1613-6810 1613-6829 |
DOI: | 10.1002/smll.202405827 |