Abstract In this work, the polyhedral carbon@hollowed carbon@SiO2 (PC@HC@SiO2) nanocubes are designed by employing the ZIF-8 as template for high-performance lithium-ion batteries (LIBs) anode. The nanostructures of ZIF-8@SiO2 can be tunneled by controlling the hydrolysis durations of TEOS. As a result, the PC@HC@SiO2 composite is obtained by a subsequent high temperature carbonization treatment on ZIF-8@SiO2. When used as anode for LIBs, it exhibits high initial discharge capacity of 863.6 mAh g−1 with Coulombic efficiency of 85% at the current density of 0.1 A g−1. Further, the reversible capacity stabilizes at 723 mAh g−1 after 150 cycles. Even the current density is increased to 1.0 A g−1, a highly reversible capacity of 321.2 mAh g−1 can be enabled after 800 cycles, demonstrating the superior rate and long cycling capability. Remarkably, the density functional theory calculation realizes that the lithium storage capacity of PC@HC@SiO2 is significantly enhanced by the strong interfacial interaction between the HC and the SiO2. Besides, the novel nanostructure of PC@HC@SiO2 not only promotes the kinetics for lithiation/de-lithiation and diffusion process, but also relieves the volume expansion, leading to high anode performance.

中文翻译：

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用于增强型锂离子电池的具有可调结构的多面体碳@中空碳@SiO2纳米盒的界面工程

摘要 在这项工作中，以 ZIF-8 为模板设计了多面体碳@中空碳@SiO2 (PC@HC@SiO2) 纳米立方体，用于高性能锂离子电池 (LIBs) 负极。ZIF-8@SiO2 的纳米结构可以通过控制 TEOS 的水解时间形成隧道。结果，通过随后在 ZIF-8@SiO2 上进行高温碳化处理获得 PC@HC@SiO2 复合材料。当用作 LIB 的阳极时，它表现出 863.6 mAh g-1 的高初始放电容量，在 0.1 A g-1 的电流密度下库仑效率为 85%。此外，可逆容量在 150 次循环后稳定在 723 mAh g-1。即使电流密度增加到 1.0 A g-1，800 次循环后仍可实现 321.2 mAh g-1 的高度可逆容量，证明了优异的倍率和长循环能力。值得注意的是，密度泛函理论计算发现，HC与SiO2之间的强界面相互作用显着提高了PC@HC@SiO2的储锂容量。此外，PC@HC@SiO2 的新型纳米结构不仅促进了锂化/去锂化和扩散过程的动力学，而且缓解了体积膨胀，从而提高了负极性能。