Nanostructured Transition-Metal Clathrates and Clathrate-Oxide Nanocomposites

纳米结构过渡金属笼形物和笼形氧化物纳米复合材料

• 批准号: 220597078
• 负责人: Professorin Dr. Silke Bühler-Paschen
• 金额: --
• 依托单位: Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2012
• 资助国家: 德国
• 起止时间: 2011-12-31 至 2018-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/220597078?language=en
• 关键词: Nanostructured; Transition; Metal; Clathrates; Clathrate

For widespread applications in waste heat recovery, thermoelectric materials should be environmentally benign, cheap, durable, and efficient. Most of the well-known thermoelectrics fail in at least one respect. This project calls nanostructured intermetallic clathrates and clathrate-oxide nanocomposites before the curtain. Together with two PhD students and one part-time PostDoc to be hired by the project, an interdisciplinary team of physicists and chemists, experimentalists and theoreticians, specialists on clathrates and oxides, from Bochum University, Max Planck Institute for Chemical Physics of Solids, the Swiss Federal Laboratories for Materials Testing and Research, and Vienna University of Technology will carry out an ambitious research project that sets out to advance the fundamental understanding in the field, and to provide advanced new thermoelectric materials. Focus will be on transition metal containing clathrates and oxides, including cheap representatives like the clathrate Ba8CuxSi46−x . Different nanostructuring and compaction techniques for bulk materials will be explored. The results of in-depth structural, analytical, and physical property characterizations will be compared to results on well defined model system – clathrate nanowires, that have never been made before. Density functional theory will be performed both for the electrons and for the lattice, taking defects and finite size explicitely into account.

为了在余热回收中广泛应用，热电材料应该是环保的、廉价的、耐用的和高效的。大多数著名的热电产品至少在一个方面是失败的。本项目在帷幕前称纳米金属间化合物和包合物-氧化物纳米复合材料。来自波鸿大学、马克斯·普朗克固体化学物理研究所、瑞士联邦材料测试与研究实验室和维也纳理工大学的物理学家和化学家、实验学家和理论家、笼状化合物和氧化物专家组成的跨学科团队将与该项目聘请的两名博士生和一名兼职博士后一起开展一项雄心勃勃的研究项目，旨在促进对该领域的基本了解，并提供先进的新型热电材料。重点将放在含有包合物和氧化物的过渡金属上，包括像包合物Ba8CuxSi46−x这样的廉价代表。将探索用于块状材料的不同纳米结构和压实技术。深入的结构、分析和物理性质表征的结果将与定义良好的模型体系-笼状纳米线的结果进行比较，这是以前从未制作过的。我们将对电子和晶格进行密度泛函理论，显式地考虑缺陷和有限尺寸。