纳米石墨电极的阶储锂机制研究

Graphite material is the most popular anode and playing an important role in stabilizing and improving the electrochemical performance of the commercialized Li-ion batteries (LIBs). Therefore, it is of fundamental interest to elucidate its structural Li storage and transport properties. In this context, employing electrochemical characterizations and density functional theory (DFT) simulations, it is anticipated to get the structural insight into the graphite anode for its asymmetric discharge/discharge behavior and Li staging-based storage property upon lithiation/delithiation. Then in order to be aware of the intrinsic properties at atomic scale on Li exchange , it is necessary to clarify the Li staging-related phase transition kinetics and establish the Li exchange model, e.g. the phase change from stag-III to stag-II in graphite anode that need to be fully comprehended and ultimately controlled. Such an investigation paves the way in rewarding manners to the modifications of electrode materials, electrochemistry and LIB community as well.

石墨电极做为锂离子电池中最常用的负极材料，对电池的性能起着至关重要的作用。研究锂在石墨电极中的存储与输运行为对认识石墨材料的本征电化学行为和提高锂离子电池效能起着基础性地推动作用。因此借助于电化学以及密度泛函理论计算等手段，本项目旨在研究石墨电极在电化学循环中表现出来的不对称充放电和阶存储特性的结构基础，构建合理的锂离子脱嵌模型以及阐释不同阶之间的相变动力学过程，从基础层面认识锂在石墨电极中的本征存储与输运属性，为锂离子电池材料、电化学过程和电池本身的发展积累经验和借鉴。

石墨电极做为锂离子电池中重要且最常用的负极材料，对电池的性能起着至关重要的作用。本项目立足于锂离子电池用石墨负极嵌锂过程中的阶行为，借助于电化学以及密度泛函理论计算等手段，研究了石墨电极在电化学循环中表现出来的不对称充放电和阶存储特性的结构基础，构建了合理的锂离子脱嵌模型以及阐释不同阶之间的相变动力学迟滞过程，认识了锂在石墨电极中的本征存储与输运属性，为锂离子电池材料、电化学过程和电池本身的发展积累经验和借鉴。

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