Unraveling Reactions Mechanisms on Au-titania Nanostructures: Probing Interface Effects

Cynthia M.哈佛大学的Friend得到化学系化学催化项目的支持，以探索混合Au/TiO 2中的界面对有机物种在这些混合催化剂上的催化氧化转化的作用。 由于含氧化合物在重要的化学过程中普遍存在，包括替代燃料的生产和加工，因此将对含氧化合物进行专门研究。 实验计划的目的是测试的假设，即跨金属氧化物-金属界面的活性氧的转移可能是在这个过程中的一个重要步骤。 使用STM的分子尺度成像将被用来表征表面，和产品分布和反应温度将被用作探针的活性氧迁移通过Au/TiO 2界面。 用理论密度泛函方法研究了Au-TiO_2界面附近的电子结构。 该项目将解决多相催化中的一个关键基本问题：金属-金属氧化物界面在确定对替代能源研究具有重要意义的催化过程的效率和选择性方面的影响。 教育活动包括重新承诺从传统上代表性不足的群体成员中招募未来一代的科学家参与研究计划，并重新关注教育公众与能源有关的问题。

Professor Cynthia M. Friend of Harvard University is supported by the Chemical Catalysis Program in the Division of Chemistry to explore the role of the interface in hybrid Au/TiO2 on the catalytic oxidative transformations of organic species on these hybrid catalysts. Oxygenates will specifically be investigated because of their prevalence in important chemical processes, including production and processing of alternative fuels. The experimental plan is designed to test the hypothesis that the transfer of active oxygen across the metal oxide-metal interface may be an important step in this process. Molecular-scale imaging using STM will be employed to characterize the surface, and product distributions and reaction temperatures will be used as a probe for the migration of active oxygen across the Au/TiO2 interface. The electronic structure of sites near the Au-TiO2 interface will be probed with theoretical DFT methods. The project will tackle a key fundamental issue in heterogeneous catalysis: the effect of metal-metal oxide interfaces in determining the efficiency and selectivity of catalytic processes of significance to alternative energy research. The educational activities include a renewed commitment to recruit future generation of scientists from members of traditionally underrepresented groups into the research program, and a renewed focus on educating the public on energy-related issues.