Dynamics of Heterogeneous Reactions

非均相反应动力学

• 批准号: 9986950
• 负责人: Andrew Bocarsly
• 金额: $ 60.4万
• 依托单位: Princeton University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-04-15 至 2003-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9986950&HistoricalAwards=false
• 关键词: Dynamics; Heterogeneous; Reactions

This project, which is supported in the Analytical and Surface Chemistry program focusses on increasing the understanding of detailed molecular dynamics of chemical reactions that occur on solid surfaces. This project, conducted by Dr. Andrew Bocarsly and his group at Princeton University is composed of four interrelated sub-projects. The first sub-project examines the internal state distribution of the product of platinum catalyzed oxidization reactions. Sub-project 2 uses scanning tunneling microscopy in conjunction with ab initio calculations to explore the detailed dynamics of the dissociation of CO on the Fe(100) surface. In the third sub-project, the effect of internal energy on the probability of dissociative chemisorption of methane on the Pt(111) surface is probed. The final sub-project examines the interaction of polyatomic organic ions with hydrocarbon covered surfaces in order to obtain mechanistic information about the ion-surface reactions that occur. The research in this proposal will result in a deeper understanding of elementary chemical processes that occur on solid surfaces. Such information will improve our knowledge of a number of important technological processes such as heterogeneous catalysis and the manufacture of electronic devices.

该项目在分析和表面化学计划中得到支持，重点是增加对固体表面上化学反应的详细分子动力学的理解。 该项目由安德鲁博（Andrew Bocarsly）博士及其在普林斯顿大学（Princeton University）的小组进行，由四个相互关联的子项目组成。 第一个亚项目检查了铂催化的氧化反应的乘积的内部状态分布。 亚项目2使用扫描隧道显微镜与从头算计算一起探索Fe（100）表面上CO解离的详细动力学。 在第三次次项目中，探测了内部能量对甲烷在PT表面（111）表面解离化学吸附的可能性的影响。最终的亚项目检查了多原子有机离子与烃覆盖的表面的相互作用，以获取有关发生的离子表面反应的机械信息。 该提案中的研究将使对固体表面上发生的基本化学过程有更深入的了解。 这些信息将提高我们对许多重要技术过程的了解，例如异质催化和电子设备的制造。