Molecular dynamics of chemical processes at surfaces

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。 这有一个明确的实际目的，因为在制造纳米结构的进展将取决于我们的知识，因此我们的能力来控制，在表面的反应产物的位置和键合。 一种强有力的新方法来图案化表面是（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，将自组装图案永久地压印在表面上（这构成了本实验室正在开发的“分子尺度压印”，MSI）。 因此，我们建议从事系统的研究，在光子和电子诱导的反应，以及热反应，物理吸附的自组装模式的分子时，从事化学键合与潜在的半导体或金属表面的反应动力学。该研究将是实验，理论支持。 在有利的情况下，我们可以看到试剂分子（模式和位置），下面的表面原子，以及反应产物在表面的位置--这是表面科学和相关技术中使用的丰富的矿脉信息。

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.