The high rate performance of metal-ion batteries requires the anode to be conductive not just ionically but also electronically. This criterion has significantly stimulated study on porous metallic carbon with intrinsically high electron conductivity. In contrast to the previously reported metallic T6-carbon constructed by interlocking carbon hexagons, here a new 3D metallic carbon composed of interlocking carbon pentagons, penta-h22, is proposed. Based on state-of-the-art theoretical calculations, it is shown that penta-h22 is energetically more stable than T6-carbon. More importantly, different from T6-carbon with too small pores for metal ions, penta-h22 possesses a large specific capacity of 609 mAh g^–1, low diffusion barrier of 0.20 eV, low open-circuit voltage of 0.63 V, and small volume change of 1.75%. These parameters clearly indicate that pentagon-based 3D porous carbon is promising for the anode of Na-ion batteries.

中文翻译：

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一种用于钠离子电池负极材料的具有互锁五边形的新型多孔金属碳同素异形体

金属离子电池的高倍率性能要求阳极不仅离子导电，而且电子导电。该准则极大地促进了对具有固有高电子电导率的多孔金属碳的研究。与之前报道的由互锁碳六边形构成的金属 T6-碳相反，这里提出了一种由互锁碳五边形构成的新 3D 金属碳，penta-h22。根据最先进的理论计算，表明penta-h22 在能量上比 T6-carbon 更稳定。更重要的是，与金属离子孔隙太小的T6-碳不同，penta-h22具有609 mAh g ^–1的大比容量, 0.20 eV 的低扩散势垒，0.63 V 的低开路电压，以及 1.75% 的小体积变化。这些参数清楚地表明，基于五边形的 3D 多孔碳有望用于钠离子电池的负极。