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钛酸钡(BaTiO)极化涂层作为界面改性策略在锌离子电池中的应用:理论研究。

The Introduction of a BaTiO Polarized Coating as an Interface Modification Strategy for Zinc-Ion Batteries: A Theoretical Study.

机构信息

Key Laboratory of Engineering Dielectric and Applications (Ministry of Education), Harbin University of Science and Technology, Harbin 150000, China.

出版信息

Int J Mol Sci. 2024 Oct 17;25(20):11172. doi: 10.3390/ijms252011172.

DOI:10.3390/ijms252011172
PMID:39456953
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11508356/
Abstract

Aqueous zinc-ion batteries (AZIBs) have become a promising and cost-effective alternative to lithium-ion batteries due to their low cost, high energy, and high safety. However, dendrite growth, hydrogen evolution reactions (HERs), and corrosion significantly restrict the performance and scalability of AZIBs. We propose the introduction of a BaTiO (BTO) piezoelectric polarized coating as an interface modification strategy for ZIBs. The low surface energy of the BTO (110) crystal plane ensures its thermodynamic preference during crystal growth in experimental processes and exhibits very low reactivity toward oxidation and corrosion. Calculations of interlayer coupling mechanisms reveal a stable junction between BTO (110) and Zn (002), ensuring system stability. Furthermore, the BTO (110) coating also effectively inhibits HERs. Diffusion kinetics studies of Zn ions demonstrate that BTO effectively suppresses the dendrite growth of Zn due to its piezoelectric effect, ensuring uniform zinc deposition. Our work proposes the introduction of a piezoelectric material coating into AZIBs for interface modification, which provides an important theoretical perspective for the mechanism of inhibiting dendrite growth and side reactions in AZIBs.

摘要

水系锌离子电池(AZIBs)由于其低成本、高能量和高安全性,已成为锂离子电池的一种有前途且具有成本效益的替代品。然而,枝晶生长、析氢反应(HERs)和腐蚀严重限制了 AZIBs 的性能和可扩展性。我们提出了在 ZIBs 中引入 BaTiO(BTO)压电极化涂层作为界面改性策略。BTO(110)晶体表面的低表面能确保了在实验过程中晶体生长时其热力学偏好,并对氧化和腐蚀表现出极低的反应性。层间耦合机制的计算揭示了 BTO(110)和 Zn(002)之间稳定的连接,从而确保了系统的稳定性。此外,BTO(110)涂层还能有效抑制 HERs。Zn 离子的扩散动力学研究表明,BTO 由于其压电效应,有效抑制了 Zn 的枝晶生长,确保了锌的均匀沉积。我们的工作提出在 AZIBs 中引入压电材料涂层进行界面改性,为抑制 AZIBs 中枝晶生长和副反应的机制提供了重要的理论视角。

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本文引用的文献

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Synchronous Regulation of D-Band Centers in Zn Substrates and Weakening Pauli Repulsion of Zn Ions Using the Ascorbic Acid Additive for Reversible Zinc Anodes.使用抗坏血酸添加剂对锌负极进行锌基底中D带中心的同步调控及锌离子泡利排斥的减弱以实现可逆锌阳极
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