作为一类新型的多孔材料，金属有机框架材料（metal-organic frameworks, MOFs）在气体存储、分离和催化等领域具有潜在的应用前景。近年，由于其有序的孔道、可调的孔径以及结构可修饰等特性，研究者们开始关注 MOFs材料在锂离子电池负极中的潜在应用。然而目前MOFs负极材料储锂机制尚不够清晰，尤其是有机配体的贡献不够明确，并且，MOFs材料的导电性普遍较差。因此，本项目拟采用不同尺寸但具有相同功能基团和类似对称性的有机配体设计制备系列具有连续Li-O-Li链的Li基MOFs材料，其中连续Li-O-Li链有利于提高Li基MOFs材料的导电性。通过电化学测试，比较、分析所制备的系列Li基MOFs材料的电化学性能，进而采用粉晶结构解析技术并结合密度泛函理论计算，系统研究和探索储锂机制，明确有机配体的贡献，并反馈到Li基MOFs材料的制备中，设计制备高性能Li基MOFs负极材料。

As a new class of porous materials, metal-organic frameworks (MOFs) have potential applications in gas adsorption, separation and catalysis. Recently, Owing to their well-ordered pore channels, tunable pore sizes and tunable functionality of structure, metal-organic framework (MOFs) have attracted much attention for their potential application as Li-ion battery anodes. However, the lithium storage mechanism of MOF anodes is currently not well-defined, especially, the contribution of organic linker is not clear. In addition, the conductivity of most MOFs is low. Therefore, this proposal firstly design and synthesize a series of Li-based MOFs with Li-O-Li chains which potentially increase the conductivity by use of organic linkers with different length but same functionalized groups and similar symmetry. After analyzing and comparing the results from electrochemical tests for the prepared Li-based MOFs, we further employ powder XRD structure refinements combined with density function theory calculations to investigate the lithium storage mechanism and the contribution of organic linker. Finally, based on the proposed mechanism, we design and synthesize high performance MOF anodes.