CoSb3基方钴矿化合物具有优良的电输运性能，是一种极具应用潜力的中温热电材料，但其相对较高的热导率限制了它在热电方面的应用和发展。因此，针对方钴矿化合物特殊的笼状晶体结构，本项目拟采用具有独特优势的高温高压(HPHT)合成技术，围绕优化设计的多原子填充型CoSb3基热电材料进行系统研究。在高温高压条件下，选择不同价态与不同局域振动的多种原子对CoSb3材料进行组合填充，有效散射传热声子，并优化其电输运性能；以样品热电性能的高压原位测量结果为参考，通过变换合成压力进一步优化填充样品，实现对其电子结构和晶体结构的协同调控。揭示高压条件下制备材料的合成压力、原子填充组合、晶体结构、电子结构和微观组织等对CoSb3材料电声输运特性的影响机制；阐述高压制备材料过程中由"填充-压力"所引入的新物理现象和规律。最终实现对该类特殊结构化合物的电热输运性能近乎独立的调控与优化，获得高性能的热电材料。

CoSb3-based skutterudites possess excellent electrical transport properties, which are desirable for potential mid-temperature thermoelectric materials. However, the large thermal conductivity of unfilled CoSb3-based skutterudites restricts their application and development. Therefore, based on the special cubic structure of CoSb3 compound, high pressure and high temperature (HPHT) method will be introduced into this project to investigate the multiple-filled CoSb3-based skutterudites systematically. By HPHT, phonon will be scattering effectively through multiple-filled the CoSb-based materials with different charge states and different local vibrational mode, while the property of electrical transports will be optimized. Then the in-situ measurement will be used as a reference, the separate optimizing of the crystal structure and electron structure will be realized by changing the synthesis pressure. During these processes, we will reveal the impact mechanism on the thermoelectric properties of CoSb3 of the synthesis pressure, multiple-filled composition, crystal structure, electron structure, microstructure and so on; illustrate the new physical phenomenon and law introduced by "filling-pressure" during the material preparation process under HPHT condition. By following those rules above, nearly independent tunning of electron and phonon transports will be achieved ultimately based on these caged compounds, and then obtained the promising high-performance thermoelectric materials.