CAREER: Oxygen Ion Conduction in Layered Aurivillius-Derived Ceramics

这个学院早期职业发展项目的目标是将新型离子导体的研究与新的教学和推广方法相结合，包括研究仪器和计算设施。该项目研究部分的目标是开发和了解围绕Aurivillius系列氧化物结构的有趣结构特征而设计的新的氧化物离子导体。缺氧类钙钛矿层将被引入到Aurivillius结构框架中，然后利用层之间的反掺杂来增加单位晶胞体积，从而使氧空位无序。Aurivillius衍生相的未开发的电势为中温离子导电带来了巨大的希望，需要清楚地描述结构和结构对离子电导率的影响。实验工作将得到原子计算机模拟的补充，以预测相的稳定性，并描述促进离子导电的缺陷的性质。原位衍射、原子模拟和远程访问国家设施将被纳入本科生和研究生教育的课程课程以及新的推广计划。将从学生的学习热情和学习的角度来评估使用具有高度可视化和最先进的研究工具的小组学习方法。同样，将评估由研究实验室现场虚拟之旅支持的包含动手演示的外联计划的成功。使用燃料电池将化石燃料直接转换为电能是传统燃烧的一种高效、无污染的替代方案。然而，在中温下传导氧离子的新材料对于改进现有的燃料电池并允许该设备的大规模商业化至关重要。一组独特的陶瓷，被称为Aurivillius相，在电化学设备中具有巨大的使用潜力，是研究的对象。将使用一种将材料的实验工作和计算建模相结合的方法来开发和理解基于Aurivillius相的新离子导体。将用于在这一研究领域取得进展的一些研究工具是高度可视化、非常快速的，或者包括使用万维网对实验进行实时远程控制。因此，研究工具可广泛使用，并将纳入课堂、远程学习和外联活动。除了直接将本科生纳入研究外，还将建立拥有尖端研究工具的本科生团体学习实验室，并从学生积极性和学习的角度进行评估。课程实验将提供准备有效的远程学习和校园短期课程所需的背景知识。外展计划将包括动手演示、基于网络的演示以及对PI的实验室和国家设施的虚拟访问。外展工作的目的是让校园里的非专业学生参与进来，并通过与大量K-12教师和学生的接触，接触到纽约西部代表性不足的群体。

9983801MistureThe objective of this Faculty Early Career Development project is to dovetail research on novel ionic conductors with new teaching and outreach approaches that incorporate the research instruments and computational facilities. The goal of the research component of the project is to develop and understand new oxide ion conductors designed around the interesting structural features of the Aurivillius family of oxide structures. Oxygen-deficient perovskite-like layers will be incorporated into the Aurivillius structural framework and then counter-doping between layers will be used to increase the unit cell volume and disorder the oxygen vacancies. The untapped potential of the Aurivillius-derived phases holds great promise for intermediate-temperature ionic conduction, and requires a clear description of the structures and the effects of structure on the ionic conductivity. The experimental work will be complemented with atomistic computer simulation to predict the stability of phases and to describe the nature of the defects that facilitate ionic conductivity. In-situ diffraction, atomistic simulation, and remote access to national facilities will be incorporated into course curricula for undergraduate and graduate education and new outreach programs. The use of group learning approaches with highly visual, state-of-the-art research tools will be evaluated from the perspective of student enthusiasm and learning. Likewise, the success of outreach programs that integrate hands-on demonstrations supported by live virtual tours of research laboratories will be evaluated. Direct conversion of fossil fuels to electrical energy using fuel cells is a high efficiency, pollution-free alternative to traditional combustion. New materials that conduct oxygen ions at intermediate temperatures are critical, however, to improve existing fuel cells and allow mass commercialization of the devices. A distinct group of ceramics, called Aurivillius phases, has great potential for use in electrochemical devices and are the subject of study. An approach that combines experimental work and computational modeling of the materials will be used to develop and understand new ionic conductors based on the Aurivillius phases. Some of the research tools that will be used to make advances in this area of research are highly visual, very fast, or include live remote control of experiments using the world wide web. The research tools are therefore widely accessible and will be incorporated into classroom, distance learning, and outreach activities. In addition to directly including undergraduates in the research, undergraduate group learning laboratories with state-of-the-art research tools will be established and evaluated from the perspective of student enthusiasm and learning. The curricular experiments will provide the background required to prepare effective distance learning and on-campus short courses. Outreach programs will integrate hands-on demonstrations, web-based demonstrations, and virtual visits to the PI's laboratory and national facilities. The outreach efforts are designed to include non-majors on campus and to reach underrepresented groups in western New York through contact with a large number of K-12 teachers and students.