n型可溶性金属酞菁配合物的设计合成及热电性能研究

要实现有机热电器件的实际应用，需同时获得高性能的p型和n型热电材料。随着P型有机热电材料的飞速发展，探索开发稳定性高，可溶性好的高性能n型热电材料变得愈发迫切。金属酞菁配合物具有优异的电传输性质，适宜的塞贝克系数，可以调控实现电子迁移，且在空气中具有极佳的稳定性，有望成为新型高性能n型有机热电材料。本项目提出n型可溶性金属酞菁的设计合成及其热电性能研究。拟通过对酞菁配体引入可溶性基团，制备得到可溶液加工的金属酞菁配合物；通过调控中心金属的d轨道电子数及价态，探寻中心金属的轨道结构与材料电输运性质及热电性能的影响规律，探明金属酞菁配合物中实现电子导电的物理条件，调控获得多个n型热电材料；通过调控酞菁环引入基团的结构，改变金属酞菁配合物的电子能级，研究金属酞菁配合物的电子能带结构与材料电输运性质及热电性能的影响规律，探索提高n型酞菁配合物热电性能的有效途径，最终获得高性能的可溶性n型热电材料。

Viable thermoelectric devices require both electron and hole conducting materials with high performance. Since the TE performance of p-type organic materials is rapidly advancing, it is ergent to explore stable, dissolvable and high performance n-type organic TE materials. Metal phthalocyanine complexes have excellent electrical transport properties, good Seebeck coefficient and can be electron conducting with high stability under air atmosphere, showing great potential as n-type organic TE materials. This project aim to design and synthesis of n-type dissolvable metal phthalocyanine complexes and studies of its thermoelectric performance. Dissolvable metal phthalocyanine complexes will be synthesized by structure modification of phthalocyanine. The relationship between orbital structure of central metal and electrical transport properties, TE performance of the materials will be discussed through tuning the orbital structure of the central metal. The physical condition of electron conducting is obtained and several type of n-type TE materials are aim to be developed. The electronic level of the metal phthalocyanine complexes will be tuned by tuning the structure of phthalocyanine, and the relationship between electronic level and electrical transport properties, TE performance will be discussed. Based on understanding these relationship between structure and TE performance, finally obtain high performance dissolvable n-type TE material.