标题： 基于离子束的锂离子电池金属组件锂化分析 显示英文标题

标题： Lithiation Analysis of Metal Components for Li-Ion Battery using Ion Beams

摘要： 金属部件在锂离子电池中被广泛用作电流收集器、阳极和中间层。将这些功能集成到一个部件中可以提高电池的能量密度并简化其设计。然而，这种多功能部件必须满足严格的要求，包括高且可逆的锂存储容量、快速的锂化/脱锂动力学、机械稳定性和安全性。通过电化学测试样品中与离子束的相互作用，筛选了六种单原子金属（Mg、Zn、Al、Ag、Sn 和 Cu）的锂化行为，这些样品经历了弱锂化和强锂化条件。这些不同的锂化条件使我们能够区分锂化过程的热力学和动力学方面。三种类型的离子用于确定锂的深度分布：$H^+$用于核反应分析（NRA），$He^+$用于卢瑟福背散射（RBS），$Ga^+$用于聚焦离子束（FIB）铣削。该研究揭示了三种锂化行为：(i) Zn、Al、Sn 与 Li 形成纯合金；(ii) Mg、Ag 形成插层固溶体；(iii) Cu 作为锂化屏障。NRA 和 RBS 提供直接和定量的数据，提供了对锂离子电池组件中锂化过程更全面的理解。这些发现与我们的从头算模拟结果非常吻合，建立了电化学特性与基本热力学参数之间的直接相关性。 显示英文摘要

摘要： Metal components are extensively used as current collectors, anodes, and interlayers in lithium-ion batteries. Integrating these functions into one component enhances the cell energy density and simplifies its design. However, this multifunctional component must meet stringent requirements, including high and reversible Li storage capacity, rapid lithiation/delithiation kinetics, mechanical stability, and safety. Six single-atom metals (Mg, Zn, Al, Ag, Sn and Cu) are screened for lithiation behavior through their interaction with ion beams in electrochemically tested samples subjected to both weak and strong lithiation regimes. These different lithiation regimes allowed us to differentiate between the thermodynamics and kinetic aspects of the lithiation process. Three types of ions are used to determine Li depth profile: $H^+$ for nuclear reaction analysis (NRA), $He^+$ for Rutherford backscattering (RBS), and $Ga^+$ for focused ion beam (FIB) milling. The study reveals three lithiation behaviors: (i) Zn, Al, Sn form pure alloys with Li; (ii) Mg, Ag create intercalation solid solutions; (iii) Cu acts as a lithiation barrier. NRA and RBS offer direct and quantitative data, providing a more comprehensive understanding of the lithiation process in LIB components. These findings fit well with our ab-initio simulation results, establishing a direct correlation between electrochemical features and fundamental thermodynamic parameters.