Crystal Chemistry and Properties of Zintl Phases: Towards Efficient New Thermoelectrics

Zintl 相的晶体化学和性质：迈向高效的新型热电材料

基本信息

批准号：
1709382
负责人：
Susan Kauzlarich
金额：
$ 50万
依托单位：
University of California-Davis
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-07-01 至 2021-09-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1709382&HistoricalAwards=false
关键词：
Crystal Chemistry Properties Zintl Phases

项目摘要

PART 1: NON-TECHNICAL SUMMARYThe synthesis of new compounds and crystal structures remains an extremely important fundamental research endeavor in the pursuit of new technologically relevant materials. This research, funded by the Solid State and Materials Chemistry Program targets the synthesis of new compounds with technological applications, specifically thermoelectric applications. Thermoelectric materials can convert a heat gradient into electricity. The design of efficient thermoelectric devices is a major goal for energy conversion technologies. Zintl phases, which are a subset of intermetallics are ideal candidates for thermoelectric applications as they are semiconductors with complex structures which provide low thermal conductivity, which allows for precise tuning of carrier concentration. In this structure-property relationship study specific Zintl structures will be targeted to test ideas for property outcomes based on atomic-level modifications. The long-term goal is to discover new highly efficient thermoelectric materials. Short term goals include building an understanding of best Zintl structures for efficient thermoelectric energy conversion and discovery of new magnetic and electronic properties for other technological applications. With this NSF grant the principal investigator helps educate the next generation of the STEM workforce. Students from high school through graduate school are provided hands-on training and their scientific and social skills are developed through workshops and individual mentorship. The next generation of scientists is trained to consider novel materials and their impact on technology for our future energy needs and specifically thermoelectrics.PART 2: TECHNICAL SUMMARYThis grant supports fundamental research efforts to prepare new Zintl phase compounds and measure their properties with a goal of discovering new thermoelectric materials and enhancing their thermoelectric properties. The research focuses on studying a) new variants of 14-1-11 Zintl phases for which high zT is expected at high temperatures, and b) novel Europium-based materials exhibiting low thermal conductivity. New compounds are synthesized as single crystals, high purity powders and pellets via flux, metallurgical routes, and spark plasma sintering. A suite of physical characterization techniques is utilized, including single crystal and powder X-ray diffraction, electron microprobe, electrical and magnetic measurements. Structure and phase composition is subsequently correlated with electronic and thermal transport properties. With this NSF grant the principal investigator mentors science students starting their science careers in high school to undergraduates in partnerships with graduate students, ultimately providing professional training for scientific careers. Students are provided hands-on training and their scientific and social skills are developed through workshops and individual mentorship. The research is presented at national and international meetings and the findings published in peer-review journals.

第1部分：非技术总结新化合物和晶体结构的合成仍然是追求新技术相关材料的极其重要的基本研究努力。这项由固态和材料化学计划资助的研究针对具有技术应用，特别是热电应用的新化合物的合成。热电材料可以将热梯度转化为电力。高效热电设备的设计是能量转化技术的主要目标。 ZINTL相位是金属间的子集，是热电应用的理想候选物，因为它们是具有具有较低热导率的复杂结构的半导体，因此可以精确调整载体浓度。在这种结构 - 质地关系研究中，特定的ZINTL结构将针对基于原子层的修改来测试财产结果的想法。长期目标是发现新的高效热电材料。短期目标包括建立对最佳ZINTL结构的理解，以进行有效的热电能量转换以及发现其他技术应用的新磁性和电子特性。借助这项NSF授予，首席研究人员帮助教育下一代STEM劳动力。从高中到研究生院的学生进行了动手培训，他们的科学和社交技能是通过研讨会和个人心态发展的。下一代科学家经过培训，可以考虑新颖的材料及其对我们未来能源需求的技术的影响。第2部分：技术摘要这项赠款支持基础研究工作，以准备新的Zintl相化合物，并以发现新的热电材料和增强热电学性能来衡量其性能。该研究的重点是研究a）ZINTL相14-1-11的新变体，预计在高温下为高ZT提供了高ZT，b）b）新型欧洲基于欧洲的材料，表现出低导热率。新化合物通过通量，冶金路线和火花等离子体烧结合成为单晶，高纯度粉末和颗粒。利用了一套物理表征技术，包括单晶和粉末X射线衍射，电子微探针，电气和磁性测量。结构和相组成随后与电子和热传输特性相关。 NSF授予了首席研究员的指导科学学生在高中开始与研究生的合作伙伴关系，最终为科学职业提供专业培训。为学生提供动手培训，他们的科学和社交技能是通过讲习班和个人心态发展的。该研究在国家和国际会议以及在同行评审期刊上发表的调查结果中介绍。

项目成果

期刊论文数量（20）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Size, disorder, and charge doping effects in the antiferromagnetic series Eu1-AGa4 (A = Ca, Sr, or La)

反铁磁系列 Eu1-AGa4（A = Ca、Sr 或 La）中的尺寸、无序和电荷掺杂效应

DOI：
10.1016/j.jssc.2020.121232
发表时间：
2020
期刊：
Journal of Solid State Chemistry
影响因子：
3.3
作者：
Stavinoha, Macy;Huang, C.-L.;Devlin, Kasey P.;Fettinger, James C.;Kauzlarich, Susan M.;Morosan, E.
通讯作者：
Morosan, E.

Charge density wave behavior and order-disorder in the antiferromagnetic metallic series Eu(Ga1−xAlx)4

反铁磁金属系列 Eu(Ga1−xAlx)4 中的电荷密度波行为和有序无序

DOI：
10.1103/physrevb.97.195146
发表时间：
2018
期刊：
Physical Review B
影响因子：
3.7
作者：
Stavinoha, Macy;Cooley, Joya A.;Minasian, Stefan G.;McQueen, Tyrel M.;Kauzlarich, Susan M.;Huang, C.-L.;Morosan, E.
通讯作者：
Morosan, E.

Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb 13–x Ca x BaMgSb 11 ( x = 1–6)

三重阳离子 Zintl 相中热电性能的演变：Yb 13−x Ca x BaMgSb 11 ( x = 1−6)

DOI：
10.1021/acs.chemmater.1c02584
发表时间：
2021
期刊：
Chemistry of Materials
影响因子：
8.6
作者：
Perez, Christopher J.;Cerretti, Giacomo;Wille, Elizabeth L.;Devlin, Kasey P.;Grewal, Navtej S.;Justl, Andrew P.;Wood, Maxwell;Bux, Sabah K.;Kauzlarich, Susan M.
通讯作者：
Kauzlarich, Susan M.

Zintl Phases as Reactive Precursors for Synthesis of Novel Silicon and Germanium-Based Materials

DOI：
10.3390/ma12071139
发表时间：
2019-04-10
期刊：
MATERIALS
影响因子：
3.4
作者：
Beekman, Matt;Kauzlarich, Susan M.;Nolas, George S.
通讯作者：
Nolas, George S.

Thermoelectric Properties of CoAsSb: An Experimental and Theoretical Study

CoAsSb 的热电性能：实验和理论研究

DOI：
10.1021/acs.chemmater.7b05170
发表时间：
2018
期刊：
Chemistry of Materials
影响因子：
8.6
作者：
Tan, Xiaoyan;Devlin, Kasey P.;Deng, Xiaoyu;Kang, Chang-Jong;Croft, Mark;Frank, Corey E.;Pak, Chongin;Lapidus, Saul;Kauzlarich, Susan M.;Taufour, Valentin
通讯作者：
Taufour, Valentin