Surface Structure of Strongly Correlated Oxides

Northwestern University, Evanston IL

Investigators

Abstract

NON-TECHNICAL DESCRIPTION The 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 DESCRIPTION The 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.