Surface Structure of Strongly Correlated Oxides

研究的重点是发展更复杂的氧化物表面的理解，这是重要的一系列应用，如铁电器件，催化剂或燃料电池。目前，对这类氧化物表面的了解相对较少。其目标是通过将理论计算与确定原子在表面如何排列的独特方法相结合来开发预测工具。其目的是，在未来，我们可以避免试错法来确定这些应用的最佳氧化物，而是能够预测并设计最佳氧化物。例如，这有可能导致更有效的水分解光催化剂，这将对未来的能源需求产生重大影响，并减少二氧化碳的产生。这项研究也将有助于支持当地的推广到高中学生在埃文斯顿地区，以及国际推广工作，通过在发展中国家的研讨会。技术说明拟议的工作的主要重点是研究更复杂的强相关的电子氧化物的表面。我们的目标是确定如何理解和解释的结构和热力学的表面使用相结合的实验-理论方法，利用独特的超高真空电子显微镜设备和新的DFT方法。拟议的研究将是建立强相关氧化物表面用于燃料电池或光催化分解水等应用的科学基础的一步。这项研究还将有助于支持埃文斯顿地区高中学生的本地外展，以及通过在发展中国家举办讲习班进行的国际外展工作。

NON-TECHNICAL DESCRIPTIONThe focus of the research is to develop an understanding of more complicated oxide surfaces which are important for a range of applications such as in ferroelectric devices, catalysts or fuel cells. At present relatively little is known about this class of oxide surfaces. The target is to develop predicted tools by combining theoretical calculations with unique methods of determining how the atoms are arranged at the surfaces. The intent is that in the future we can avoid trial-and-error methods of determining the best oxides for these applications, instead being able to predict and therefore design the best oxides. This has the potential, for instance, to lead to much more efficient water-splitting photocatalysts which would have a large impact on future energy needs and reduce carbon-dioxide production. The research will also help support both local outreach to high-school students in the Evanston area as well as international outreach efforts via workshops in the developing nations.TECHNICAL DESCRIPTIONThe primary focus of the proposed work is to study the surfaces of more complicated strongly-correlated electron oxides. The target is to determine how to understand and explain the structure and thermodynamics of the surfaces using a combined experimental-theoretical approach exploiting unique UHV electron microscopy facilities and new DFT methods. The proposed research will be a step towards establishing the scientific underpinnings of the use of strongly correlated oxide surfaces for applications such as in fuel cells or for photocatalytic splitting of water. The research will also help support both local outreach to high-school students in the Evanston area as well as international outreach efforts via workshops in the developing nations.