CAREER: Oxygen Ion Conduction in Layered Aurivillius-Derived Ceramics

9983801 MisureThe这个教师早期职业发展项目的目标是吻合研究新的离子导体与新的教学和推广方法，将研究仪器和计算设施。 该项目的研究部分的目标是开发和理解围绕Aurivillius氧化物结构家族的有趣结构特征设计的新的氧化物离子导体。缺氧类钙钛矿层将被并入Aurivillius结构框架中，然后层之间的反掺杂将被用于增加晶胞体积并使氧空位无序。 Aurivillius衍生相的未开发潜力对中温离子导电性有很大的希望，并且需要清楚地描述结构和结构对离子导电性的影响。实验工作将补充原子计算机模拟预测相的稳定性，并描述促进离子导电性的缺陷的性质。原位衍射，原子模拟和远程访问国家设施将被纳入本科和研究生教育和新的推广计划的课程。将从学生的热情和学习的角度评估使用具有高度视觉化的最先进的研究工具的小组学习方法。 同样，将评估结合实际操作演示并由研究实验室的现场虚拟图尔斯参观支持的推广方案的成功。使用燃料电池将化石燃料直接转化为电能是传统燃烧的高效、无污染的替代方案。 然而，在中间温度下传导氧离子的新材料对于改善现有燃料电池并使设备大规模商业化至关重要。 一组独特的陶瓷，称为Aurivillius相，具有很大的潜力，用于电化学设备，是研究的主题。 将实验工作和材料的计算建模相结合的方法将用于开发和理解基于Aurivillius相的新离子导体。 一些研究工具，将用于在这一研究领域取得进展是高度可视化，非常快，或包括使用万维网的实验的现场远程控制。 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之外，还将建立具有最先进研究工具的本科生小组学习实验室，并从学生热情和学习的角度进行评估。 课程实验将为准备有效的远程学习和校内短期课程提供必要的背景。 推广计划将结合动手示范，基于网络的演示，并虚拟访问PI的实验室和国家设施。外联工作旨在包括校园内的非专业人员，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.