By using first principle method, the van der Waals (vdW) heterostructure has been extensively studied as anode material. We demonstrate that silicene/BN vdW heterostructure has a lower diffusion barrier, good Na-ion mobility, enhanced mechanical stability compared with pristine silicene system from the synergy effect between BN and silicene. And at the same time, acceptable high storage capacity can also be preserved. All these results suggest that this composite system has a high potential as a commercial anode material for NIBs.

中文翻译：

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硅/ BN vdW异质结构作为Na离子电池的超快离子扩散阳极材料

通过使用第一原理方法，已经广泛研究了范德华（vdW）异质结构作为阳极材料。我们证明了硅/ BN vdW异质结构与BN和硅之间的协同效应相比，与原始硅系统相比具有较低的扩散势垒，良好的Na离子迁移率，增强的机械稳定性。同时，还可以保留可接受的高存储容量。所有这些结果表明，该复合系统作为商业用途的NIB阳极材料具有很高的潜力。