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: 2013
• 资助国家: 加拿大
• 起止时间: 2013-01-01 至 2014-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=520226
• 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来详细了解简单化学过程在表面发生的方式。 这个机会源于当代研究两个领域的融合：扫描隧道显微镜（STM）和反应动力学。 STM 允许实验者获得表面单分子的图像。 反应动力学（由申请人和其他人开创的领域）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独特的机会来观察表面上的单个试剂分子，并在通过热、光或电子激活后，将它们的几何形状与后续产品的几何形状相关联。 简而言之，有机会绘制表面反应过程中的分子运动，一次一个分子。