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: 2007
• 资助国家: 加拿大
• 起止时间: 2007-01-01 至 2008-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=366219
• 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.  This has a clear practical purpose since progress in fabricating nano-structures will depend on our knowledge of, and hence our ability to control, the locations and bonding of reaction products at surfaces.  A powerful new means to pattern surfaces is (a) to decorate them with loosely-bound self-assembled molecules and then (b) to induce localized reaction to imprint the self-assembled patterns, unaltered, permanently on the surface (this constitutes 'Molecular-Scale Imprinting', MSI, being developed in this laboratory).  Accordingly, we propose to engage in systematic studies of reaction dynamics in photon- and electron-induced reaction, and also thermal reaction, of physisorbed self-assembled patterns of molecules when engaged in chemical binding with underlying semi-conductor or metal surfaces.The research will be experimental, supported by theory.  In favourable cases we can hope to see the reagent molecules (pattern and location), the underlying surface atoms, and the location at the surface of the reaction products -- a rich lode of information for use in surface science and allied technology.

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的方式。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。STM允许实验者获得表面单个分子的图像。反应动力学这两个领域的结合提供了一个独特的机会，可以在表面上看到单个试剂分子，并且在被热、光或电子激活后，将它们的几何形状与随后的产物几何形状相关联。简而言之，在表面反应过程中存在绘制分子运动的机会，一次一个分子。这具有明确的实际目的，因为制造纳米结构的进展将取决于我们对以下方面的知识，一种强有力的新方法是（a）用松散结合的自组装分子装饰表面，然后（B）诱导局部反应，将自组装图案永久地印在表面上（这构成了本实验室正在开发的“分子尺度印迹”，MSI）。因此，我们建议从事光子和电子诱导反应以及热反应的反应动力学的系统研究，当与底层半导体或金属表面进行化学结合时，分子的物理吸附自组装模式。研究将是实验性的，由理论支持。在有利的情况下，我们可以希望看到试剂分子（图案和位置），下面的表面原子，以及反应产物在表面的位置--表面科学和相关技术中使用的丰富的信息矿脉。