VIA族元素共掺杂CoSb3基材料的制备和电热输运机制研究

项目名称： VIA族元素共掺杂CoSb3基材料的制备和电热输运机制研究

项目编号： No.51302205

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 一般工业技术

项目作者： 段波

作者单位： 武汉理工大学

项目金额： 25万元

中文摘要： CoSb3基材料是最具应用前景的中温热电材料之一，在Sb位引入适当的杂质原子可改善材料的电、热输运特性，提高热电优值。本项目在最新发现的VIA族元素（Te-Se、Te-S）共掺杂CoSb3基材料热电性能大幅提高及Te-S原子半径补偿共掺杂引入S元素的现象基础上，通过系统的实验研究和理论分析，研究并揭示ⅥA族元素共掺杂引起CoSb3基材料晶体结构、电子结构、声子散射机制的变化规律，阐明Te-Se、Te-S共掺杂CoSb3基材料晶格热导率大幅下降及载流子浓度降低的机理，为强化电、热协同输运效果提供理论指导；研究Te-S共掺杂CoSb3基材料晶体结构和电、热输运性能的变化关系，发展Sb位半径补偿共掺杂CoSb3基材料的可控制备方法，通过工艺和成分的调控优化材料的电、热输运性能，制备高性能掺杂型CoSb3基热电材料。

中文关键词： 方钴矿；电负性；热导率；热电材料；

英文摘要： CoSb3-based skutterudite has been identified as a competitive candidate for use in thermoelectric applications at the moderate temperature range. It is found that its thermoelectric transport properties could be improved by doping at Sb-site. The newly discovery is that thermoelectric performance of VIA-group elements (Te-Se, Te-S) co-doped CoSb3-based materials can be enhanced sharply, and S element can be co-doped with Te due to atomic radius compensation. By means of experiment and systematic theoretical analysis, the project aims to reveal the change of the crystal structure, electronic structure and phonon scattering mechanism of the co-doped materials and clarify why the lattice thermal conductivity of Te-Se, Te-S co-doped CoSb3-based materials decreases significantly and why the carrier concentration decreases, so as to provide theoretical support for the stress of the electrical and thermal cooperative transport effect, and to develop a controllable preparation method for radius-compensation co-doped CoSb3-based materials by studying the relationship of the crystal structure and the thermoelectric transport properties of Te-S co-doped skutterudites, which could offer a new guide line for the preparation of doped CoSb3-based thermoelectric materials of high-performance by figuring out the best technologic

英文关键词： Skutterudite；electronegativity；thermal conductivity；thermoelectric materials；