<br>抑制锌金属电池枝晶生长的动态保护层的相场模拟,ACS Applied Materials & Interfaces

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抑制锌金属电池枝晶生长的动态保护层的相场模拟
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2023-12-13 , DOI: 10.1021/acsami.3c11936
Bharat Pant ₁ , Yao Ren ₁ , Ye Cao ₁

Affiliation

金属锌（Zn）由于其低氧化还原电位和高存储容量而被认为是下一代水系锌电池最有前途的负极材料之一。然而，Zn金属中过度的枝晶形成、腐蚀、循环过程中氢气的逸出以及Zn离子(Zn ²⁺ )从电解质到电极的传输较差限制了其实际应用。抑制Zn枝晶生长和促进Zn ²⁺传输的最有效策略之一是在Zn金属电极和电解质之间引入合适的保护层。在此，我们数学模拟了阳极上的 Zn 沉积与覆盖阳极的保护层的位移之间的动态相互作用，后者可以同时抑制 Zn 枝晶生长并增强 Zn ²⁺通过阳极之间界面的传输。 Zn阳极和保护层。我们的模拟结果表明，高Zn ²⁺扩散率的保护层不仅提高了Zn 金属的沉积速率，而且还通过均匀化阳极表面的Zn ²⁺浓度来防止枝晶生长。此外，还揭示了保护层中的各向异性Zn ²⁺扩散率影响Zn ²⁺的二维扩散。垂直于Zn金属表面的较高Zn ²⁺扩散率抑制枝晶生长，而平行于Zn金属表面的较高扩散率促进枝晶生长。因此，我们的工作为控制保护层中的各向异性Zn ²⁺扩散提供了基本的理解和设计原理，以更好地抑制锌金属电池中的枝晶生长。

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Phase-Field Simulation of a Dynamic Protective Layer for the Inhibition of Dendrite Growth in Zinc Metal Batteries

Metallic zinc (Zn) has been considered one of the most promising anode materials for next-generation aqueous Zn batteries due to its low redox potential and high storage capacity. However, excessive dendrite formation in Zn metal, corrosion, the evolution of hydrogen gas during the cycling process, and the poor Zn-ion (Zn²⁺) transport from the electrolyte to the electrode limit its practical application. One of the most effective strategies to suppress Zn dendrite growth and promote Zn²⁺ transport is to introduce suitable protective layers between the Zn metal electrode and the electrolyte. Herein, we mathematically simulated the dynamic interactions between the Zn deposition on the anode and the resulting displacement of a protective layer that covers the anode, the latter of which can simultaneously inhibit Zn dendrite growth and enhance the Zn²⁺ transport through the interface between the Zn anode and the protective layer. Our simulation results indicate that a protective layer of high Zn²⁺ diffusivity not only improves the deposition rate of the Zn metal but also prevents dendrite growth by homogenizing the Zn²⁺ concentration at the anode surface. In addition, it is revealed that the anisotropic Zn²⁺ diffusivity in the protective layer influences the 2D diffusion of Zn²⁺. Higher Zn²⁺ diffusivity perpendicular to the Zn metal surface inhibits dendrite growth, while higher diffusivity parallel to the Zn metal surface promotes dendrite growth. Our work thus provides a fundamental understanding and a design principle for controlling anisotropic Zn²⁺ diffusion in the protective layer for better suppression of dendrite growth in Zn metal batteries.

更新日期：2023-12-13

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