Strategy forUsing Electrolyte Additives to RegulateZinc-Ion Battery Anode Interfaces via Tautomerism

The performance of zinc-ion batteries (ZIBs) is often hindered by issues such as dendrite formation, hydrogen evolution, and limited cycling stability. 1,3-Dihydroxyacetone (DHA) not only stabilizes the anode by modulating the anode/electrolyte interface (AEI) but also enhances the electrochemical performance of the battery through its spontaneous and reversible keto–enol tautomerization, reducing the concentration gradient on the anode surface. Using a combination of DFT calculations and experimental characterization, the regulation of the hydrated Zn<sup>2+</sup> structure and its adsorption at AEI by this additive is investigated. Overall, incorporating DHA extends the cycling stability of Zn||Zn symmetric batteries to 400 h, even at a depth of discharge of 56.7% (DOD). Zn||VNNC full batteries exhibit stable cycling for 700 cycles at 5 A g<sup>–1</sup> with a low N/P ratio (2.69), while the performance of Zn||AC capacitors (ZICs) is significantly enhanced. This study evaluates the additive potential in ZIBs through the dynamic characteristics of molecular structures.

Publication Details

Journal
Figshare
Published
2025-03-14
DOI
https://doi.org/10.1021/acs.nanolett.5c00802.s001
Primary Topic
Advanced battery technologies research
Type
article
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article

Strategy forUsing Electrolyte Additives to RegulateZinc-Ion Battery Anode Interfaces via Tautomerism

Figshare
Advanced battery technologies research
article

Strategy forUsing Electrolyte Additives to RegulateZinc-Ion Battery Anode Interfaces via Tautomerism

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Abstract

The performance of zinc-ion batteries (ZIBs) is often hindered by issues such as dendrite formation, hydrogen evolution, and limited cycling stability. 1,3-Dihydroxyacetone (DHA) not only stabilizes the anode by modulating the anode/electrolyte interface (AEI) but also enhances the electrochemical performance of the battery through its spontaneous and reversible keto–enol tautomerization, reducing the concentration gradient on the anode surface. Using a combination of DFT calculations and experimental characterization, the regulation of the hydrated Zn<sup>2+</sup> structure and its adsorption at AEI by this additive is investigated. Overall, incorporating DHA extends the cycling stability of Zn||Zn symmetric batteries to 400 h, even at a depth of discharge of 56.7% (DOD). Zn||VNNC full batteries exhibit stable cycling for 700 cycles at 5 A g<sup>–1</sup> with a low N/P ratio (2.69), while the performance of Zn||AC capacitors (ZICs) is significantly enhanced. This study evaluates the additive potential in ZIBs through the dynamic characteristics of molecular structures.

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