Surface Structure of Strongly Correlated Oxides

强相关氧化物的表面结构

• 批准号: 0906306
• 负责人: Laurence Marks
• 金额: $ 26万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-01 至 2013-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0906306&HistoricalAwards=false
• 关键词: Surface; Structure; Strongly; Correlated; Oxides

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.

非技术描述研究的重点是加深对更复杂的氧化物表面的了解，这些表面对于铁电设备、催化剂或燃料电池等一系列应用非常重要。目前，人们对这类氧化物表面知之甚少。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，我们可以避免反复试验的方法来确定这些应用的最佳氧化物，而是能够预测并因此设计最好的氧化物。例如，这有可能导致更高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。这项研究还将帮助支持埃文斯顿地区对高中生的当地推广以及通过发展中国家的研讨会进行的国际推广努力。技术描述拟议工作的主要重点是研究更复杂的强关联电子氧化物的表面。目标是确定如何利用独特的特高压电子显微镜设备和新的DFT方法，采用实验和理论相结合的方法来理解和解释表面的结构和热力学。拟议的研究将是朝着建立使用强关联氧化物表面用于燃料电池或光催化分解水的应用的科学基础迈出的一步。这项研究还将帮助支持埃文斯顿地区对高中生的当地外联，以及通过在发展中国家举办讲习班的国际外联努力。