硅基纳米结构复合材料是未来锂离子电池理想的负极材料，但从目前的研究报道来看存在两方面问题：一是材料制备成本高、工艺复杂、批量生产困难；二是硅基复合负极材料的电化学行为至今仍不是很清楚。本项目采用有机硅单体生产过程中的Rochow反应，即利用一氯甲烷和硅粉在铜催化剂作用下反应可形成含孔的硅基材料，进一步改性、修饰、复合等过程低成本制备多孔硅基复合材料(Si/C、Si/Cu/C等)。选择不同硅粉和铜催化剂，控制工艺条件和反应进程，探讨硅颗粒的催化成孔机理、铜和碳的分布规律及物质组成复合调变机制；研究所制备的复合材料的首次充电容量、库伦效率、初始可逆容量、循环可逆容量和倍率等特性，研究纳米结构复合材料在脱嵌锂过程中的体积效应、界面效应、锂离子的传输特性及不同材料的电子导电性等，解析结构-组成-性能之间的构效关系。项目的顺利完成将对高密度高能量锂离子电池负极材料的发展和规模化制备具有重要意义。

Nanostructured Si-based composites are supposed to be the idea anode materials for Li-ion batteries in the future. Present research reported on these materials still takes some disadvantages, such as high raw Si cost, complicated process, and difficulty in large scale production. On the other hand, the electrochemical behavior of porous Si-based anode materials is not fully understood. This project will focus on the controlled fabrication of porous Si-based materials via Rochow reaction commonly used in organosilane industry. In this reaction, Si particles react directly with CH3Cl over Cu-based catalysts to produce methylchlorosilanes and the consumption of Si results in the formation of pore structure within the residual Si materials. The effects of Si powder as reactants, Cu-based catalysts, preparation conditions, etc. on the pore structure of porous Si-based materials will be investigated for understanding the catalysis mechanism, pore formation process, distribution of various non-Si elements. After the processes of separation, purifying, modification, polishing, hybridizing, blending, and coating, the porous Si-based anode nanocomposites will be achieved. The initial charge and discharge capacities, coulomb efficiency, irreversible capacity, cyclability, and rate performance of prepared materials will be measured. The volume change of Si during the lithiation-delithiation process, interfacial effect, ion transportation, electron conduction, and etc. within the nanocomposites will be explored for disclosing the relationship of structure-component-property. The successful implementation of this project will provide a low cost route for the large-scale manufacture of Si-based anode materials and also be very significant for the development of high power Li-ion batteries with high energy density.