方钴矿热电化合物X射线吸收精细结构模拟计算-新能源材料专业论文.docx

(3) The Sb K-edge EXAFS spectra of CoSb3、Ba0.3Co4Sb12、In0.25Co4Sb12 and Ba0.3In0.2Co4Sb12 were calculated by single-scattering theory. The results indicated that the lengths of long and short Sb-Sb bonds both decreased and the difference in bond lengths between long and short bonds in Sb4 ring decreased. It was showed that the Sb4 ring was transformed from rectangular to square in Ba and In filled skutterudites. On the other hand, the thermal vibration of long bond is higher than short bond of Sb4 ring in four skutterudite compounds. Keywords: filled skutterudite; X-ray absorption fine structure; core-hole lifetime; thermal vibration; bond length III 目录 摘要 ....................................................................................................................... I Abstract .............................................................................................................. II HYPERLINK \l _bookmark0 第一章 绪论 .......................................................................................................1 HYPERLINK \l _bookmark1 1.1 研究背景和意义 ........................................................................................1 HYPERLINK \l _bookmark2 1.2 热电效应 ....................................................................................................2 HYPERLINK \l _bookmark3 Seebeck 效应 2 HYPERLINK \l _bookmark4 Peltier 效应 3 HYPERLINK \l _bookmark5 Thomson 效应 3 HYPERLINK \l _bookmark6 1.3 方钴矿热型电材料的研究进展 .................................................................3 HYPERLINK \l _bookmark7 1.3.1 热电材料的热电性能参数 .................................................................3 HYPERLINK \l _bookmark8 1.3.2 方钴矿型化合物的晶体结构 .............................................................4 HYPERLINK \l _bookmark9 1.3.3 方钴矿型化合物的电热输运特性 .....................................................6 HYPERLINK \l _bookmark10 1.4 同步辐射技术 ............................................................................................8 HYPERLINK \