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Zinc Anode Electrocrystallization: Work Function and (100) Orientation

Nature Chemistry
Overview
Researchers have identified the variation of work function upon facet-dependent additive adsorption as the governing factor for zinc electrocrystallization orientation, achieving a prediction accuracy of 93.1%. The study further demonstrates that a preferred (100) orientation provides superior cyclability under high current density and deep cycling conditions. This challenges the existing consensus that the (002) orientation is optimal for practical zinc anodes.
In Depth

Key Findings

The primary discovery is that the variation of the work function, resulting from facet-dependent molecular adsorption of additives, determines the crystallographic orientation of zinc electrocrystallization. Through an investigation of 29 additives using experimental and computational methods, the researchers achieved a prediction accuracy of 93.1% for the resulting orientation. Additionally, the study reveals that zinc anodes featuring a preferred (100) orientation exhibit outstanding cyclability, contradicting the previous industry consensus that the (002) orientation is the most favorable for practical applications.

Technical Details

The research focused on the atomic-scale physical variations of different zinc facets upon the adsorption of additives. The findings indicate that the work function is the critical governing factor in this process. The performance of the (100) orientation was validated under harsh electrochemical conditions, specifically:

  • High current densities reaching up to 20 mA cm−2.
  • Deep cycling with a depth of discharge exceeding 85%.

Background & Context

Conventional wisdom in the field attributed the additive-mediated orientation of zinc electrocrystallization primarily to the selective facet adsorption of additives. However, this view has been increasingly challenged by various counterexamples in recent literature. This study seeks to resolve these contradictions by shifting the focus from simple adsorption to the resulting physical changes in the work function of the zinc facets.

Significance & Outlook

This research establishes a fundamental criterion for the screening of additives to achieve favorably oriented zinc electrocrystallization. By demonstrating that the (100) orientation outperforms the (002) orientation under extreme conditions, the study provides a new direction for the development of high-performance zinc metal anodes with improved stability and longevity.

Source: https://doi.org/10.1038/s41557-026-02291-7

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