Collaborative Research: High Throughput Structure Sensitive Surface Chemistry

本课题由卡内基梅隆大学化学系化学结构、动力学和机理研究计划资助。Charles H. Sykes（Tufts University）和大卫S. Sholl（格鲁吉亚理工学院）将合作开发和应用结构敏感表面化学的高通量研究方法。 实验计划的核心是弯曲的单晶金属表面的制备，表征和研究，这些表面暴露出表面取向的连续分布;即暴露出不同台阶和扭结密度的表面区域。 空间分辨的实验工具，如STM，XPS和LEIS将被用来表征这些表面的局部结构，并在每个点测量表面反应动力学。这项工作将解决的作用，步骤和扭结密度在几个表面反应。 补充计算建模工具将被用来了解表面反应动力学中的表面取向的作用。 这些方法将极大地促进结构敏感表面化学的研究。 这项工作的影响将是几个催化重要的表面反应的基本理解的发展。更广泛的影响将包括对高中生的宣传，让大学生接触研究，以及制作关于表面科学和纳米科学的短视频供公众观看。

In this project funded by the Chemical Structure, Dynamics and Mechanisms Program of the Division of Chemistry, Andrew J. Gellman (Carnegie Mellon University), E. Charles H. Sykes (Tufts University) and David S. Sholl (Georgia Institute of Technology) will collaborate to develop and apply methods for high throughput study of structure sensitive surface chemistry. The core of the experimental program is the preparation, characterization and study of curved single crystal metal surfaces that expose continuous distributions of surface orientations; i.e. regions of the surface that expose different step and kink densities. Spatially resolved experimental tools such as STM, XPS, and LEIS will be used to characterize the local structures of these surfaces and to measure surface reaction kinetics at each point. This effort will resolve the role of step and kink density in several surface reactions. Complementary computational modeling tools will be used to understand the role of surface orientation in surface reaction kinetics. These methods will greatly accelerate the study of structure sensitive surface chemistry. The impact of this work will be development of a fundamental understanding of several catalytically important surface reactions. The broader impact will include outreach to high school students, exposure of undergraduates to research and the development of short videos on surface science and nanoscience for public viewing.