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

揭示二氧化钛纳米结构的反应机制：探测界面效应

• 批准号: 0956653
• 负责人: Cynthia Friend
• 金额: $ 54.3万
• 依托单位: Harvard University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-03-01 至 2014-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0956653&HistoricalAwards=false
• 关键词: Unraveling; Reactions; Mechanisms; Au; titania

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.

哈佛大学的 Cynthia M. Friend 教授在化学系化学催化项目的支持下，探索混合 Au/TiO2 界面对这些混合催化剂上有机物质催化氧化转化的作用。 由于含氧化合物普遍存在于重要的化学过程中，包括替代燃料的生产和加工，因此将专门研究含氧化合物。 该实验计划旨在检验以下假设：活性氧穿过金属氧化物-金属界面的转移可能是该过程中的重要步骤。 使用 STM 的分子尺度成像将用于表征表面，产物分布和反应温度将用作活性氧在 Au/TiO2 界面上迁移的探针。 Au-TiO2 界面附近位点的电子结构将通过理论 DFT 方法进行探测。 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中招募下一代科学家参与研究计划，并重新关注对公众进行能源相关问题的教育。