UNS: High performance tetrahedrite thermoelectric materials: An integrated experimental and computational approach

UNS：高性能四面体热电材料：综合实验和计算方法

• 批准号: 1507789
• 负责人: Donald Morelli
• 金额: $ 35万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-06-01 至 2019-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1507789&HistoricalAwards=false
• 关键词: UNS; performance; tetrahedrite; thermoelectric; materials

CBET - 1507789PI: Morelli, Donald T.Thermoelectric materials are capable of converting heat into an electrical voltage or an electrical voltage into heat. These materials can be used for power generation, for capturing waste heat in combustion processes, and for cooling applications. This project comprises experiments and atomistic modeling of tetrahedrite minerals, which have shown promise as especially efficient thermoelectric materials. In addition, the tetrahedrite family of minerals is abundant on earth and environmentally benign compared with other semiconductor thermoelectrics, which incorporate rare or toxic elements to achieve thermoelectric efficiency. Results from the project will be incorporated into a web-based education and outreach program called Atoms in Materials in 3D and into a science newsletter for elementary and middle school students.This project will identify connections between atomic and electron density and thermoelectricity in copper-rich tetrahedrites. Research will focus on the influence of doping of metal ions on the copper site, ionic mobility and ion migration in copper-rich tetrahedrites and effects of isoelectron substitution on the anion site. The project will use x-ray and neutron scatter techniques to provide structural information, insight into atomic displacement and diffusion, and electron density characteristics. Results will be combined with thermoelectric property measurements and atomistic simulation studies to develop quantitative relationships between atomic and electronic structure and thermoelectric properties of the materials. Enhanced thermoelectric performance can have a strong influence on the efficiency of energy usage in diverse industrial processes.

CBET -1507789 PI：Morelli，Donald T.热电材料能够将热量转化为电压或将电压转化为热量。这些材料可用于发电，用于捕获燃烧过程中的废热，以及用于冷却应用。该项目包括实验和黝铜矿矿物的原子模型，这些矿物已显示出作为特别有效的热电材料的前景。此外，与其他半导体热电材料相比，黝铜矿族矿物在地球上丰富，并且对环境无害，这些半导体热电材料包含稀有或有毒元素以实现热电效率。该项目的成果将被纳入一个名为“3D材料中的原子”的网络教育和推广计划，并被纳入一份面向中小学生的科学通讯。该项目将确定富铜四面体中原子和电子密度与热电性之间的联系。研究将集中于金属离子掺杂对铜位的影响、富铜四面体中的离子迁移率和离子迁移以及等电子取代对阴离子位的影响。该项目将使用X射线和中子散射技术提供结构信息，深入了解原子位移和扩散以及电子密度特性。结果将与热电性能测量和原子模拟研究相结合，以开发原子和电子结构与材料热电性能之间的定量关系。增强的热电性能可以对各种工业过程中的能源使用效率产生强烈影响。