离子液体电沉积资源化硅业副产物氯硅烷及其回收物在硅薄膜太阳电池上循环再利用的基础研究

氯硅烷是硅产业的主要副产物，产量大且污染严重，但同时其也是一种宝贵的硅资源。本项目面向氯硅烷高效清洁处理与硅基电池原材料低成本技术创新的迫切需求，根据离子液体能溶解氯硅烷并具有良好电化学性能的特点，拟采用离子液体电沉积法回收氯硅烷并提取其中的硅资源。采用分子动力学模拟方法研究氯硅烷在离子液体中溶解解析的耦合机理；将离子液体的黏度、电导率、电极电势和电化学窗口等电化学物性与量子化学计算获得的电子性质、前线轨道等结构信息进行关联，设计和筛选出适合氯硅烷溶解和电沉积的离子液体；研究氯硅烷-离子液体体系中硅的电沉积机理及硅成分和晶态的调控方法；探索离子液体在氯硅烷溶解-电沉积过程中的循化利用方法；通过离子液体电沉积实时掺杂制备n、p 型硅掺杂层用于纳米硅薄膜太阳电池。通过多学科交叉为硅业副产物氯硅烷的高值资源化和无害化处理提供新的技术途径，同时将为该类危险废物的处理提供必要的应用基础性科学依据。

With the rapid development of the silicon industry, the amounts of chlorosilane byproducts of silicon industry are dramatically increasing. It will cause serious environmental problems without proper disposal. To develop a highly effective and environmentally and safe technology to utilize chlorosilane is becoming an urgent problem.Considering the good solubility of chlorosilane in ionic liquid and the distinguish electrochemical properties of ionic liquid, it may be a cost-effective method to extract silicon from waste chlorosilane by electrochemical processes in ionic liquid. According to the studies on the regularities and principles of silicon tetrachloride's dissolution in ionic liquids, the byproduct chlorosilane are dissolved and purified through the optimization of the ionic liquid design. Based on the investigation of the ionic liquid's characters and the effect of impurities on the quality of silicon electrodeposited, methods for regulating the composition and crystal morphologies of deposited silicon are explored. In situ doping to growth n-type and p-type silicon layer which can be used for the preparation of nanocrystalline silicon thin film solar cells are studied by electrodeposition in ionic liquid. In this study, a high-value utilization process for harmless recovering the byproduct chlorosilane can be developed, and scientific basis for efficient utilization of the similar waste to chlorosilane can be provided.