Lithium metal batteries have garnered significant attention as a promising energy storage technology, offering high energy density and potential applications across various industries. However, the formation of lithium dendrites during battery cycling poses a considerable challenge, leading to performance degradation and safety hazards. This study aims to address this issue by investigating the effectiveness of a protective layer on the lithium metal surface in inhibiting dendrite growth.

The hypothesis is that continuous lithium consumption during battery cycling is a primary contributor to dendrite formation. To test this hypothesis, a protective layer of Li₃Bi/Li₂O was applied to the lithium foil through immersion in a BiN₃O₉ solution. Experimental techniques including kelvin probe force microscopy (KPFM) and density functional theory (DFT) calculations were employed to analyze the structural and electronic properties of the Li₃Bi/Li₂O layer.

The findings demonstrate successful doping of Bi into the Li coating, forming Bi-Bi and Bi-O bonds. KPFM measurements reveal a higher work function of Li₃Bi/Li₂O, indicating its potential as an effective protective layer. DFT calculations further support this observation by revealing a greater adsorption energy of lithium on the Li₃Bi/Li₂O layer compared to the bulk material. Charge density analysis suggests that the adsorption of Li atoms onto the Li₃Bi/Li₂O layer induces a redistribution of charge, resulting in increased electron availability on the surface and preventing electrode–electrolyte contact.

This study provides insights into the role of the Li₃Bi/Li₂O protective layer in inhibiting dendrite growth in lithium metal batteries. By mitigating dendrite formation, the protective layer holds promise for enhancing battery performance and longevity. These findings contribute to the development of strategies for improving the stability and reliability of lithium metal batteries, facilitating their wider adoption in energy storage applications.

锂金属电池作为一种有前途的储能技术而受到广泛关注，它具有高能量密度和跨行业的潜在应用。然而，电池循环过程中锂枝晶的形成带来了相当大的挑战，导致性能下降和安全隐患。本研究旨在通过研究锂金属表面保护层抑制枝晶生长的有效性来解决这个问题。

假设是电池循环过程中持续的锂消耗是枝晶形成的主要原因。_{为了检验这一假设，通过浸没在 BiN 3} O _{9溶液中，将 Li 3} Bi/Li ₂ O保护层施加到锂箔上。采用开尔文探针力显微镜（KPFM）和密度泛函理论（DFT）计算等实验技术来分析Li ₃ Bi/Li ₂ O层的结构和电子性质。

研究结果表明，Bi 成功掺杂到 Li 涂层中，形成 Bi-Bi 和 Bi-O 键。_{KPFM 测量揭示了 Li 3} Bi/Li ₂ O具有较高的功函数，表明其作为有效保护层的潜力。DFT 计算揭示了与块状材料相比， Li ₃ Bi/Li _{2 O 层}上的锂具有更大的吸附能，从而进一步支持了这一观察结果。电荷密度分析表明，Li 原子吸附到 Li ₃ Bi/Li ₂ O 层上会引起电荷重新分布，从而增加表面上的电子可用性并防止电极与电解质接触。

这项研究深入了解了 Li ₃ Bi/Li ₂ O 保护层在抑制锂金属电池中枝晶生长方面的作用。通过减少枝晶的形成，保护层有望提高电池性能和寿命。这些发现有助于制定提高锂金属电池稳定性和可靠性的策略，促进其在储能应用中的更广泛采用。