Molecular dynamics of chemical processes at surfaces

这项研究试图利用一种新的机会来详细了解简单的化学过程在表面发生的方式。这一机会来自当代研究的两个领域：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(申请人与他人共同开创的领域)是研究引起化学反应的分子运动的领域。这两个领域的结合提供了一个独特的机会来看到表面上的单个试剂分子，并在被热、光或电子激活后，将它们的几何形状与随后的产品几何形状相关联。正如简要地说，存在映射表面反应过程中的分子运动的机会，一次一个分子。这有一个明确的实用目的，因为制造纳米结构的进展将取决于我们对反应产物在表面的位置和成键的了解，从而取决于我们控制反应产物在表面的位置和成键的能力。形成表面图案的一种强大的新方法是(A)用松散结合的自组装分子装饰它们，然后(B)诱导局部反应，以印记未改变的、因此，我们建议系统地研究分子在光子和电子诱导反应中的反应动力学，以及分子与下面的半导体或金属表面进行化学结合时的热反应。研究将是实验的，有理论支持的。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--这是用于表面科学和相关技术的丰富信息宝藏。

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.