CaB6的原位反应合成及其热电性能  

In-situ reaction synthesis and thermoelectric properties of CaB6

作　　者：崔寒立 张忻[1] 叶宇轩 刘燕琴[1] 王杨[1] CUI Han-li;ZHANG Xin;YE Yu-xuan;LIU Yan-qin;WANG Yang(College of Materials Science and Engineering,Beijing University of Technology,Key Laboratory of New Functional Materials Ministry,Beijing 100124,China)

机构地区：[1]北京工业大学材料科学与工程学院,新型功能材料教育部重点实验室,北京100124

出　　处：《金属功能材料》2020年第2期14-20,共7页Metallic Functional Materials

基　　金：国家自然科学基金资助项目(51371010,51572066,50801002);北京市自然科学基金资助项目(2112007)。

摘　　要：CaB6作为一种新型的热电材料,原料丰富且环保。以硼粉和氢化钙粉为原料,通过放电等离子烧结原位反应合成成功制备出了CaB6块体材料。第一性原理计算结果表明,CaB6呈现金属输运特性。试验结果表明,CaB6呈现n型金属输运特性。在373~773 K测试温度范围内,功率因子随着温度的升高呈上升趋势,从2.86×10-3 W·m-1 K-2增加到3.6×10-3 W·m-1 K-2,热导率随着温度的升高呈下降趋势,从11.63 W·m-1 K-1减小到9.06 W·m-1 K-1,其中晶格热导率占主导,且晶格热导率随温度的变化趋势与理论计算结果一致。在1 673 K制得的CaB6样品在773 K取得最大ZT值,达到0.34。As a new type of thermoelectric material, CaB6 is rich in raw materials and environmentally friendly. CaB6 bulk samples were successfully prepared by the in-situ reaction synthesis of spark plasma sintering using boron powder and calcium hydride powder as raw materials. First-principles calculation results show that CaB6 exhibits metal transport characteristic. In the test temperature range of 373-773 K, the power factor showed an upward trend with increasing temperature, from 2.86×10-3 W·m-1 K-2 to 3.6×10-3 W·m-1 K-2. The thermal conductivity decreased from 11.63 W·m-1 K-1 to 9.06 W·m-1 K-1 with the increasing temperature. Lattice thermal conductivity accounts for the majority of thermal conductivity. The trend of the lattice thermal conductivity with temperature is consistent with the theoretical calculation results. The CaB6 sample made at 1 673 K achieved the maximum ZT value when the test temperature was 773 K, reaching 0.34.

关 键 词：CaB6 第一性原理计算 原位反应合成 电性能 ZT 

分 类 号：TQ132.32[化学工程—无机化工]