Qiu Tianyun, Yang Li, Xiang Yinger, Ye Yu, Zou Guoqiang, Hou Hongshuai, Ji Xiaobo
Hunan Province Key Laboratory of Chemical Power Source, College of Chemistry and Chemical Engineering, Central South University, Changsha, 410083, China.
College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang, 330022, China.
Small Methods. 2021 Jul;5(7):e2100188. doi: 10.1002/smtd.202100188. Epub 2021 Jun 16.
Antimony (Sb) is considered a promising anode material for sodium-ion batteries due to its high specific capacity and moderate working potential. However, the non-negligible volume variation leads to the rapid decay of capacity, which hinders the practical application of Sb anode materials. Here, an economical and scalable route with high yield is proposed to obtain Sb ultrafine nanocrystals embedded in a porous carbon skeleton. Notably, the synergetic effect of the heterogeneous structure is maximized by inducing the interfacial coupling SbOC and creating buffering space for the volume effect of Sb. The high-entropy phase interface creates the doping site breaking the periodicity of atoms and alters the electronic structure, also bridging the slip of intergranular defects. Thus, the electronic conductivity and phase interface structural stability are reinforced. The mechanism of accelerating electron migration at the heterogeneous phase interface is visualized through the density functional theory method, and the mass/charge-transfer kinetics is analyzed via the calculation of surface-induced capacitive contribution.
锑（Sb）因其高比容量和适中的工作电位而被认为是一种有前景的钠离子电池负极材料。然而，不可忽略的体积变化会导致容量迅速衰减，这阻碍了锑负极材料的实际应用。在此，我们提出了一种经济且可扩展的高产率方法来制备嵌入多孔碳骨架中的锑超细纳米晶体。值得注意的是，通过诱导界面耦合SbOC并为锑的体积效应创造缓冲空间，使异质结构的协同效应最大化。高熵相界面创造了打破原子周期性的掺杂位点并改变了电子结构，还弥合了晶界缺陷的滑移。因此，增强了电子导电性和相界面结构稳定性。通过密度泛函理论方法可视化了异质相界面处加速电子迁移的机制，并通过表面诱导电容贡献的计算分析了质量/电荷转移动力学。
