The non-uniform aggregation of fast-diffused Li on an anode surface would aggravate its tip-effect-induced nucleation/growth, leading to the notorious dendrite growth in Li metal batteries (LMBs). Tuning the Li diffusion on the anode surface has been regarded previously as a mainstream method to induce its uniform deposition, while the diffusion of Li in the anode bulk is usually ignored. Here, conceptually different from the classic surface modification, we propose a molecular tunnelling strategy to construct atomic channels in graphite bulk, which enables the fast diffusion of superdense Li. Density functional theory calculations and ab initio molecular dynamics simulations prove that the bulk diffusion through atomic channels could become a new and dominating path. Its reversible and efficient diffusion has been further visualized by in situ transmission electron microscopy. As a result, when coupled with high-loading LiFePO₄ cathodes (20 mg cm⁻²), a high areal capacity and 100% capacity retention are achieved over 370 cycles. Through this work a new strategy is developed based on the bulk-diffusion of superdense Li for dendrite-free LMBs, which can be pervasive in other high-performance energy storage systems.

中文翻译：

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用于无枝晶锂金属电池的超密锂通过原子通道的有效扩散

快速扩散的锂在负极表面的不均匀聚集会加剧其尖端效应诱导的成核/生长，导致锂金属电池（LMB）中臭名昭著的枝晶生长。调节锂在阳极表面的扩散以前被认为是诱导其均匀沉积的主流方法，而锂在阳极体中的扩散通常被忽略。在这里，在概念上与经典的表面改性不同，我们提出了一种分子隧穿策略来构建石墨体中的原子通道，这使得超密锂的快速扩散成为可能。密度泛函理论计算和从头算分子动力学模拟证明，通过原子通道的体扩散可能成为一种新的主​​导路径。原位透射电子显微镜进一步观察了其可逆和有效的扩散。因此，当与高负载 LiFePO ₄正极（20 mg cm ^-2）结合使用时，可在 370 次循环中实现高面积容量和 100% 的容量保持率。通过这项工作，开发了一种基于超密锂体扩散的新策略，用于无枝晶 LMB，这可以在其他高性能储能系统中普遍使用。