Iodine edge-doped graphene can improve the capacity and stability of lithium-ion batteries (LIBs). Our theoretical calculations indicate that center-iodization can further significantly enhance the anode catalytic process. To experimentally prove the theoretical prediction, iodine-doped graphene materials were prepared by one-pot hydrothermal and ball-milling approaches to realize different doping-sites. Results show that the center-iodinated graphene (CIG) anode exhibits a remarkably high reversible capacity (1121 mA h g⁻¹ after 180 cycles at 0.5 A g⁻¹), long-cycle life (0.01% decay per cycle over 300 cycles at 1 A g⁻¹) and high-rate capacity (374 mA h g⁻¹ after 800 cycles at 8 A g⁻¹), which greatly improves the performance of the edge-iodinated graphene anode and these results are in good agreement with the theoretical analysis. More importantly, the CIG anode also delivers a high-rate capacity and excellent cycling stability (279 mA h g⁻¹ after 500 cycles at 10 A g⁻¹) in full-cells. Both the theoretical analysis and experimental investigation reveal the enhancement mechanism, in which the center-iodization increases the surface charge for fast electron transfer rate, improves the conductivity for charge transport and rationalizes the pore structure for enhanced mass transport and ion insertion/desertion, thus resulting in a high rate capacity and long cycle life. This work not only discloses the critical role of catalytic sites including both amounts and site positions but also offers great potential for high-power rechargeable LIB applications.

中文翻译：

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中心碘化石墨烯作为先进的阳极材料，可显着提高锂离子电池的性能†

碘掺杂边缘石墨烯可以提高锂离子电池（LIB）的容量和稳定性。我们的理论计算表明，中心碘化可以进一步显着增强阳极催化过程。为了通过实验证明理论预测，通过一锅水热法和球磨法制备了碘掺杂的石墨烯材料，以实现不同的掺杂位点。结果表明，该中心碘化石墨烯（CIG）阳极表现出显着高的可逆容量（1121毫安汞柱^-1之后，在0.5 A G 180个周期^-1），长的循环寿命（每个循环0.01％衰减超过1 300次循环A g ^-1）和高倍率容量（374 mA hg ^-1在8 A g ^-1下经过800次循环），大大提高了边缘碘代石墨烯阳极的性能，这些结果与理论分析吻合良好。更重要的是，CIG阳极还提供一个高速率容量和优异的循环稳定性（279毫安汞柱^-1在10 500次循环后的克^-1）的完整单元格。理论分析和实验研究均揭示了这种增强机理，其中中心碘化提高了表面电荷，以实现快速的电子传输速率，提高了电荷传输的电导率，并使孔结构合理化，从而提高了质量传输和离子的插入/脱除，因此导致高倍率容量和长循环寿命。这项工作不仅揭示了催化部位的关键作用，包括数量和部位位置，而且为高功率可充电LIB应用提供了巨大潜力。