导电分子材料的热电性能研究

项目名称： 导电分子材料的热电性能研究

项目编号： No.21333011

项目类型： 重点项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 朱道本

作者单位： 中国科学院化学研究所

项目金额： 300万元

中文摘要： 热电材料可将温差直接转换为电能，可实现废热发电以提高化石能源的利用效率、减少温室气体排放，是重要的支持人类可持续发展的能源材料。目前高效的热电材料主要基于无机半导体材料，由于无机热电材料其部分组成元素稀缺、环境毒性、造价昂贵等问题限制了其大规模的应用。有机材料组成元素来源广泛、易实现大批量合成的特点，可实现低成本的溶液加工和廉价的大面积的热电器件的制备，对于突破无机热电材料大规模化应用瓶颈具有重要意义。本项目将充分利用有机材料低热导率特性，选取具有较高载流子迁移率、高电导率的共轭聚合物、金属配位化合物、共轭小分子等材料，研究其分子结构、聚集态结构、能带结构、载流子浓度等对电导、塞贝克系数、导热系数的影响，系统研究材料组成、结构等与热电性能的关系，并总结相关的规律以指导进一步的材料的设计与合成，预期发现1-2种具有高热电性能的有机材料体系（ZT>0.1），并阐明其相关的机理。

中文关键词： 有机半导体;热电材料;配位聚合物;共轭高分子;塞贝克系数

英文摘要： Thermoelectric (TE) materials can convert the temperature gradient into electric power and vice versa, so it can be used for improving the efficiency of fossil energy sources and reducing the green house gases emission by energy harvesting from the waste heat. Now it has been supposed to be one of the most important sustainable energy materials. Now, the most efficient TE materials are based on inorganic semiconductors. However, large-scale applications of TE devices have been limited due to the scarcity of certain components, their environmental toxicity and high cost. Organic materials have the advantages of abundant resources, easily scalable production, low-cost large area solution processible, which may extend the applications of TE devices if high performance organic TE materials could be developed. In this project we are going to study the thermoelectric properties of organic materials with high charge carrier mobilities and conductivities such as conjugated polymers, coordination polymers and small molecular semiconductors taking the advantage of their intrinsic low thermal conductivities. The effects of molecular structure, stacking structure, band structure and carrier concentration on the seebeck coefficient, conductivity and thermal conductivity will be explored. The relationship between the composition, structure of organic materials and their thermoelectric performance will be explored to get general principle guiding the organic TE materials development. We expect to get 1 or 2 high performance organic TE materials (with ZT>0.1) with the mechanism to be clarified.

英文关键词： organic semiconductors;thermoelectric materials;coordination polymers;conjugated polymers;seebeck coefficient