Materials with hollow structures are generally considered more conducive to lithium‐ion storage than solid materials, but there is no suitable crystal model system to illustrate it. Herein, it is successfully simulated by utilizing polyoxometalate models to compare the lithium‐ion battery performances. New crystals, EMI‐PMo₁₂ (EMI: 1‐ethyl‐3‐methylimidazolium) with solid sphere and EMI‐Mo₇₂V₃₀ and EMI‐Mo₁₃₂ with hollow structures, are synthesized. In order to increase their electronic conductivity, the composites EMI‐PMo₁₂@rGO, EMI‐Mo₇₂V₃₀@rGO, and EMI‐Mo₁₃₂@rGO (rGO: reduced graphene oxide) can be prepared by introducing rGO. The composite EMI‐Mo₇₂V₃₀@rGO delivers a reversible capacity of 1145 mAh g⁻¹ at 100 mA g⁻¹, and the capacity retentions are nearly 100% at 2000 mA g⁻¹ for over 500 cycles. This study not only provides a promising avenue toward manufacturing and developing new‐generation electrode materials in lithium‐ion storage but also proposes a mechanism toward comparing their performances at the molecular level.

中文翻译：

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多金属氧酸盐模型中增强锂电池存储的研究：从固体球到空心球

通常认为具有中空结构的材料比固体材料更有利于锂离子的储存，但是没有合适的晶体模型系统可以说明这一点。在这里，它是通过使用多金属氧酸盐模型比较锂离子电池性能而成功进行模拟的。合成了具有固体球体的EMI-PMo ₁₂（EMI：1-乙基-3-甲基咪唑鎓）和具有空心结构的EMI-Mo ₇₂ V ₃₀和EMI-Mo ₁₃₂。为了提高其电导率，复合材料EMI‐PMo ₁₂ @ rGO，EMI‐Mo ₇₂ V ₃₀ @rGO和EMI‐Mo ₁₃₂可以通过引入rGO来制备rGO（rGO：还原的氧化石墨烯）。EMI-Mo ₇₂ V ₃₀ @rGO复合材料在100 mA g ^-1时可逆容量为1145 mAh g ^-1，在500 mA周期内在2000 mA g ^-1时容量保持率接近100％。这项研究不仅为制造和开发锂离子存储中的新一代电极材料提供了一条有希望的途径，而且还提出了一种在分子水平上比较其性能的机制。