Molecular dynamics of chemical processes at surfaces

表面化学过程的分子动力学

• 批准号: 169-2007
• 负责人: Polanyi, John
• 金额: $ 13.84万
• 依托单位: University of Toronto
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2011
• 资助国家: 加拿大
• 起止时间: 2011-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=473284
• 关键词: Molecular; dynamics; chemical; processes; surfaces

This research seeks to exploit a new opportunity to obtain detailed understanding of the way in which simple chemical processes take place at surfaces. The opportunity stems from the confluence of two fields of contemporary research: Scanning Tunneling Microscopy (STM) and Reaction Dynamics. STM allows the experimenter to obtain images of single molecules at surfaces. Reaction Dynamics (a field pioneered by the applicant with others) is the study of the molecular motions that give rise to chemical reaction. A combination of these two fields offers a unique opportunity to see individual reagent molecules at surfaces and, following activation by heat, light or electrons, to correlate their geometries with subsequent product geometries. Stated briefly, the opportunity exists to map the molecular motions in the course of surface reactions, a-molecule-at-a-time.

这项研究旨在利用一个新的机会，以获得详细的了解，其中简单的化学过程发生在表面。 这个机会源于当代研究的两个领域的融合：扫描隧道显微镜（STM）和反应动力学。 扫描隧道显微镜允许实验者在表面获得单个分子的图像。 反应动力学（申请人与其他人一起开创的领域）是对引起化学反应的分子运动的研究。 这两个领域的结合提供了一个独特的机会，看到单个试剂分子在表面上，并通过热，光或电子激活后，将其几何形状与随后的产品几何形状相关联。 简而言之，在表面反应的过程中，存在着绘制分子运动图的机会，一次一个分子。