复杂Zintl相化合物热电材料的设计与载流子浓度调节

项目名称： 复杂Zintl相化合物热电材料的设计与载流子浓度调节

项目编号： No.51271098

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 一般工业技术

项目作者： 夏盛清

作者单位： 山东大学

项目金额： 80万元

中文摘要： 热电材料对于解决目前全球面临的能源短缺，尾气污染，温室效应等问题均有着极其重要的意义，寻求高转化效率的新一类热电材料已成为目前国际交叉前沿领域的研究热点。对于复合物热电材料的研究，目前较受关注的有以下三类：Skutterudites， Clathrates以及Zintl相化合物。其中，复杂Zintl相化合物由于其具有较低的晶格热导率，有希望构建高转化效率的热电材料，因此在近期研究中倍受关注。本项目我们立足于Zintl相化合物方面的长期工作基础，系统地研究此类化合物的设计合成，晶体结构，电子能带,载流子浓度的调节及其对热电性质的影响。通过对上述科学问题研究并总结规律，以促进相应交叉前沿领域的发展。该项目的成功实施，不仅具有重要的学术价值，还可能带来较大的经济效益和社会效益。

中文关键词： Zintl相化合物；合金；晶体结构；电子结构；热电性能

英文摘要： Thermoelectric materials are a special class of compounds which can conveniently realize the energy conversion between heat and power. Based on this knowledge, thermoelectric materials are immediately found to be so attracting and prospecting in solving the current world-wide problems such as energy shortage, exhaust pollution and global warming. Moreover, thermoelectric generators made of solid-state materials are free of moving part, which makes them silent and scalable, especially suitable for fabricating small, reliable, portable devices. Despite so attracting potential applications, the practical utilization of thermoelectrics is greatly limited due to its commonly poor energy conversion efficiency. Currently commercially available thermoelectric materials are found decades ago. Extensive disorders are introduced into their crystal structures through alloying substantially with the isoelectronic species, thus the phonons can be scattered while the pathway for the electron transport are almost intact. To achieve high efficiency, recently, there have been much interest focused on materials such as filled skutterudites and clathrates. In this compounds, the loosely bonded atoms filling the cages in the crystal structure are known as "rattlers", which are believed to be the cause of extremely low, glass like th

英文关键词： Zintl phases；alloys；Crystal structure；Electronic structure；