通过掺杂与微结构的调控实现MgAgSb基热电材料的电声输运性能的协同优化

Thermoelectric materials provide a green, safe and reliable method for generating power or refrigeration, which plays a more and more important role in alleviating energy crisis, environmental pollution and climatic change. MgAgSb-based thermoelectric materials are expected to replace the traditional resource-deficient bismuth telluride alloys because of their rich raw materials and good thermoelectric properties near room temperature. Based on our previous studies, this research plan proposes to prepare MgAgSb-based thermoelectric materials by ordinary planetary ball-milling method with low cost and large-scale synthesis。At the same time, to simultaneously optimize the transport of electron and phonon, we plan to effectively regulate the electronic band structures by doping Zn, Pd and Mn elements (band engineering), and introduce coherent/ semi-coherent boundary (crystal twinning and stacking fault), micro-nano pores and magnetic nanoparticles (Co and Nd-Fe-B nanoparticles). Combining theoretical simulation, the thermoelectric mechanism should be revealed. This research plan is expected to give new progress in the preparation of MgAgSb based thermoelectric materials and study of thermoelectric mechanism.

热电材料提供了一种环保、安全、可靠的发电或制冷方式，在解决能源危机、环境污染、气候变化上正扮演越来越重要的角色。MgAgSb基热电材料因原材料丰富且在室温附近具有较好热电性能，有望替代传统资源匮乏的碲化铋合金而被重视。本项目在前期试探性研究的基础上，提出利用低成本且可大规模合成的普通行星式球磨法合成MgAgSb基热电材料。同时，通过掺杂Zn、Pd和Mn等元素对其能带结构进行有效调节（能带工程），引入共轭/半共轭晶界（孪晶和层错等）、微纳米气孔和磁性纳米粒子（Co和汝铁硼纳米颗粒等）等因素协同优化MgAgSb基热电材料的电声输运性能，结合理论模拟揭示其热电机理。以期在MgAgSb基热电材料制备方法及其热电机理研究创新方面取得新进展。

热电材料提供了一种环保、安全、可靠的发电或制冷方式，在解决能源危机、环境污染、 气候变化上正扮演越来越重要的角色。MgAgSb基热电材料因原材料丰富且在室温附近具有较好热电性能，有望替代传统资源匮乏的碲化铋合金而被重视。本项目在前期试探性研究的基础上 ，提出利用低成本且可大规模合成的普通行星式球磨法合成MgAgSb基热电材料。同时，通过掺 杂Zn、Pd和Mn等元素对其能带结构进行有效调节（能带工程），引入共轭/半共轭晶界（孪晶 和层错等）等因素协同优化MgAgSb基热电材料的电声输运性能，结合理论模拟揭示其热电机理。以期在MgAgSb基热电材料制备方法及其热电机理研究创新方面取得新进展。