基于石墨烯基有序分级结构调控及界面电荷传输机理研究

为满足未来电子产品可弯曲、可穿戴、柔性化的需求，如何使电池在保持高性能的情况下又实现其柔性化、可折叠化是未来化学电池的发展趋势。本项目构筑了一种有序分级电极结构来提升电池的性能，揭示电极界面电荷传输的机理及锂离子吸脱附机理，具体研究内容如下：（1）利用改进的喷雾干燥法制备三维多孔金属硫化物修饰的石墨烯分级结构，并对其进行B、N掺杂研究；（2）研究石墨烯和活性物质界面上的能带结构，分析其对电荷传递和输运性能的影响，模拟电荷在界面上传递的动力学过程；（3）利用蒙特卡罗方法模拟锂离子在石墨烯表面的吸附能力和迁移行为；（4）对锂离子电池实际工作条件下进行原位分析，得出电池容量的衰减规律及界面电荷传输机理。本项目提出石墨烯基有序分级结构电极材料的调控及传输机理探究，相信随着研究的深入，更多性能优异、结构新颖的柔性电子产品将得以实现。

In order to meet reliable bending, wearable, and flexible devices for the future electronic products, how to maintain a high performance and realize its flexible and folding is the development trend. This project constructs an orderly hierarchical electrode to improve the performance of the battery, its reveals interface charge transport and lithium-ion absorption/desorption mechanism of electrode, the specific content be researched as follows: (1) The 3D porous hierarchical structure of metal sulfide embedded within graphene will be obtaind by spray drying method, and investigated the effect of nitrogen-and boron-doped composites. (2) The interface band structure will be studied about graphene and active substances, to analyze its effect on the properties of charge transfer and transport, simulation of the electric charge on the interface transfer kinetics. (3) The Li adsorption and migration behavior on graphene surface will be simulated using the Monte-Carlo method. (4) In-situ analysis of actual working conditions for lithium-ion battery, the attenuation rule of battery capacity and interface charge transport mechanism will be concluded. This project presents the graphene-base orderly hierarchical structure and interface charge transport mechanism of the electrode materials, and its believe that more flexible electronic products with novel structure and good performance will be realized with the deepgoing investigation.