POWRE: In Situ Study of Stabilization of Zirconia by Anion Exchange (N for O) Using High Temperature, Controlled Atmosphere X-ray Diffraction at University of Tubingen (Ger)

POWRE：图宾根大学（德国）使用高温、受控气氛 X 射线衍射通过阴离子交换（N 换 O）稳定氧化锆的原位研究

• 批准号: 9806000
• 负责人: Renu Sharma
• 金额: $ 4.89万
• 依托单位: Arizona State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-07-15 至 2000-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9806000&HistoricalAwards=false
• 关键词: POWRE; Situ; Study; Stabilization; Zirconia

9806000 Sharma This research addresses the thermodynamics, kinetics, reaction path, structure and composition of intermediate phases, atomic level structural mechanism of the reaction of Zr containing compounds with N2 and NH3. In situ x-ray diffraction studies will be conducted at the University of Tubingen, and transmission electron microscopy at Arizona State University. The approach is to synthesize zirconia phase(s) with randomly ordered oxygen vacancies by anion (N for O) substitution. Most of the studies of zirconia stabilization are concentrated on cation substitution, preferably by a lower valent ion such Y or Ca, to create randomly ordered oxygen vacancies. Some zirconium oxynitride with ordered oxygen vacancies in the lattice have been synthesized, but randomly ordered vacancies are required for a material to be used in solid oxide fuel cells. The present project is directed towards a preliminary study that will lead to a detailed systematic investigation of the Zr-O-N system. Various Zr containing compounds such as ZrO2, Zr(SO4)2, Zr(OH)4, Zr(NO3)4.6H20, ZrOCl2 and (NH4)3ZrF7 will be heated in a N2 or NH3 atmosphere, and time, temperature resolved x-ray diffraction, electron diffraction, high resolution electron microscopy and electron energy loss spectroscopy will be used to elucidate the reaction path and identify all phases. %%% This is a research enhancement grant made under the Professional Opportunities for Women in Research and Education (POWRE) program. The research will contribute new materials science knowledge at a fundamental level. Progress in understanding the reaction path is expected to advance the potential to synthesize technological important materials by design.

本文研究了含Zr化合物与N2和NH3反应的热力学、动力学、反应路径、中间相的结构和组成、原子级结构机理。现场x射线衍射研究将在蒂宾根大学进行，透射电子显微镜研究将在亚利桑那州立大学进行。该方法是用负离子（N代替O）取代法合成氧空位随机排列的氧化锆相。大多数关于氧化锆稳定的研究都集中在阳离子取代上，最好是用较低的价离子如Y或Ca来产生随机有序的氧空位。已经合成了一些晶格中有有序氧空位的氮化氧化锆，但在固体氧化物燃料电池中使用的材料是需要随机有序空位的。本项目的目的是进行一项初步研究，从而对锆-氧-氮系统进行详细的系统调查。将ZrO2、Zr(SO4)2、Zr(OH)4、Zr(NO3)4.6H20、ZrOCl2和（NH4）3ZrF7等各种含Zr的化合物在N2或NH3气氛中加热，利用时间分辨、温度分辨的x射线衍射、电子衍射、高分辨电镜和电子能量损失能谱分析来阐明反应路径并鉴定各相。这是在研究和教育领域妇女专业机会（POWRE）计划下提供的一项研究加强补助金。该研究将在基础水平上贡献新的材料科学知识。了解反应路径的进展有望提高通过设计合成技术重要材料的潜力。