阴极
离子
密度泛函理论
材料科学
化学工程
扩散
碳纤维
分子动力学
结构稳定性
化学物理
纳米技术
热力学
化学
计算化学
物理化学
复合材料
有机化学
物理
工程类
复合数
结构工程
作者
Yujin Li,Min Yu,Roya Momen,Song Bai,Yujie Huang,Xichun Zhong,He Ding,Wentao Deng,Guoqiang Zou,Hongshuai Hou,Xiaobo Ji
出处
期刊:Chemical Science
[The Royal Society of Chemistry]
日期:2024-01-01
卷期号:15 (1): 349-363
被引量:2
摘要
Ultrafast-charging is the focus of next-generation rechargeable batteries for widespread economic success by reducing the time cost. However, the poor ion diffusion rate, intrinsic electronic conductivity and structural stability of cathode materials seriously hinder the development of ultrafast-charging technology. To overcome these challenges, an interfacial dynamics and thermodynamics synergistic strategy is proposed to synchronously enhance the fast-charging capability and structural stability of polyanion cathode materials. As a case study, a Na3V2(PO4)3 composite (NVP/NSC) is successfully obtained by introducing an interface layer derived from N/S co-doped carbon dots. Density functional theory calculations validate that the interfacial bonding effect of V-N/S-C significantly reduces the Na+ transport energy barrier. D-band center theory analysis confirms the downward shift of the V d-band center enhances the strength of the V-O bond and considerably inhibits irreversible phase transformation. Benefitting from this interfacial synergistic strategy, NVP/NSC achieves a high capability and excellent cycling stability with a surprisingly low carbon content (2.23%) at an extremely high rate of 100C for 10 000 cycles (87.2 mA h g-1, 0.0028% capacity decay per cycle). Furthermore, a superior performance at 5C (115.3 mA h g-1, 92.1% capacity retention after 800 cycles) is exhibited by the NVP/NSC‖HC full cell. These findings provide timely new insights for the systematic design of ultrafast-charging cathode materials.
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