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

哈佛大学的辛西娅·M·弗兰德教授在化学系化学催化计划的支持下，探索了Au/TiO2杂化催化剂中界面对有机物种在这些杂化催化剂上的催化氧化转化的作用。将特别调查含氧物，因为它们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。该实验计划旨在验证这样一种假设，即活性氧在金属氧化物-金属界面上的转移可能是这一过程中的重要步骤。使用STM的分子尺度成像将被用来表征表面，产物分布和反应温度将被用作活性氧通过Au/TiO2界面上迁移的探针。用理论密度泛函方法研究Au-TiO2界面位的电子结构。该项目将解决多相催化中的一个关键基础问题：金属-金属氧化物界面在决定催化过程的效率和选择性方面的作用，这对替代能源研究具有重要意义。这些教育活动包括重新承诺从传统上代表性较低的群体成员中招募未来一代科学家加入研究计划，以及重新关注教育公众与能源相关的问题。

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.