SiO, comprised of silicon and silicon dioxides (SiO₂), is one of the most commercially promising anode materials to mix with current widely used graphite for the high energy density lithium-ion batteries (LIBs). One of the major bottlenecks for SiO/Graphite (SiO/Gr) composite anode is the cyclability due to considerable stress and strain (deformation) caused within and among the composite particles. However, a sophisticated and quantitative understanding of the highly electrochemical–mechanical coupling behaviors is still lacking. Herein, an electro–chemo–mechanical model with a detailed geometric description to quantitatively reveal the underlying governing mechanisms of SiO/Gr composite anodes using the half-cell configuration is established and validated. Results show that an 8–10 wt.% of SiO is an optimal choice regarding capacity delivery and minimizing Li plating under 1C constant current charging condition. Positioning SiO particles near the separator and reducing the sizes of SiO particles are also demonstrated to be beneficial for electrochemical performance with trivial influence on mechanical mismatch. This study highlights a promising multiphysics model for the design and evaluation of next-generation batteries and unlocks the mechanistic and quantitative understanding of the interactions among composite particles in electrodes.

中文翻译：

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SiO 与石墨颗粒之间相互作用的机理和定量理解

SiO，由硅和二氧化硅（SiO ₂), 是最具商业前景的负极材料之一，可与目前广泛使用的石墨混合用于高能量密度锂离子电池 (LIB)。SiO2/石墨 (SiO2/Gr) 复合阳极的主要瓶颈之一是由于复合颗粒内部和之间产生的相当大的应力和应变（变形）而导致的循环能力。然而，仍然缺乏对高度电化学-机械耦合行为的复杂和定量的理解。在此，建立并验证了具有详细几何描述的电-化学-机械模型，以定量揭示使用半电池配置的 SiO/Gr 复合阳极的潜在控制机制。结果表明，8-10 重量。在 1C 恒流充电条件下，SiO2% 是关于容量输送和最小化锂电镀的最佳选择。将 SiO 颗粒放置在隔膜附近并减小 SiO 颗粒的尺寸也被证明有利于电化学性能，对机械失配的影响很小。这项研究突出了一个很有前途的多物理场模型，用于设计和评估下一代电池，并开启了对电极中复合颗粒之间相互作用的机械和定量理解。