10.1021/acsnano.9b02129.s002 Shiqi Liu Shiqi Liu Xu Zhang Xu Zhang Pengfei Yan Pengfei Yan Renfei Cheng Renfei Cheng Yushu Tang Yushu Tang Min Cui Min Cui Boya Wang Boya Wang Liqiang Zhang Liqiang Zhang Xiaohui Wang Xiaohui Wang Yuyuan Jiang Yuyuan Jiang Lin Wang Lin Wang Haijun Yu Haijun Yu Dual Bond Enhanced Multidimensional Constructed Composite Silicon Anode for High-Performance Lithium Ion Batteries American Chemical Society 2019 Dual Bond Enhanced Multidimensional Constructed Composite Silicon Anode cycle stability High-Performance Lithium Ion Batteries lithium ion batteries bond anode materials silicon-based anode materials X-ray photoelectron spectroscopy technique 2019-07-25 17:34:58 Media https://acs.figshare.com/articles/media/Dual_Bond_Enhanced_Multidimensional_Constructed_Composite_Silicon_Anode_for_High-Performance_Lithium_Ion_Batteries/9106001 The development of silicon-based anode materials is important for improving the energy density of current lithium ion batteries. However, there are still strong demands for these materials with better cycle stability and higher reversible capacity. Here, a kind of dual bond restricted MXene-Si-CNT composite anode materials with enhanced electrochemical performance is reported. These dual bonds have been clearly revealed by an X-ray photoelectron spectroscopy technique and also proven by theoretical calculations with spontaneous reaction energy values (−0.190 and −0.429 eV/atom for Ti–Si and C–Si bonds, respectively). The cycle stability of the composites, prepared by a facile ball-milling synthetic method, can obviously be improved because of the existence of these dual bonds and the multidimensional constructed architecture. The MXene-Si-CNT composite with 60 wt % silicon possesses the best overall performance, with ∼80% capacity retention after 200 cycles, and achieves 841 mAh g<sup>–1</sup> at 2 A g<sup>–1</sup>. This approach demonstrates a promising strategy to exploit high-performance anode materials and lessens the immanent negative effect of silicon-based materials. Furthermore, it is significant to extend this method to other anode materials with serious volumetric change problems during the cycling process.