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)

9806000 Sharma本研究讨论了含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、原子水平的结构机制。原位X射线衍射研究将在蒂宾根大学进行，透射电子显微镜将在亚利桑那州立大学进行。该方法是通过阴离子（N取代O）合成具有随机有序氧空位的氧化锆相。氧化锆稳定化的大多数研究集中在阳离子取代上，优选通过较低价离子如Y或Ca，以产生随机有序的氧空位。已经合成了一些在晶格中具有有序氧空位的氮氧化锆，但是对于用于固体氧化物燃料电池的材料，需要随机有序的空位。目前的项目是针对一个初步的研究，将导致详细的系统调查的Zr-O-N系统。将在N2或NH3气氛中加热各种含Zr化合物如ZrO 2、Zr（SO 4）2、Zr（OH）4、Zr（NO3）4·6 H2O、ZrOCl 2和（NH 4）3 ZrF 7，并使用时间、温度分辨的X射线衍射、电子衍射、高分辨率电子显微镜和电子能量损失谱来阐明反应路径并鉴定所有相。 这是根据研究和教育领域女性专业机会（POWRE）方案提供的研究增强补助金。这项研究将在基础层面上贡献新的材料科学知识。在理解反应路径方面取得的进展有望提高通过设计合成技术重要材料的潜力。

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.