Industry/University Cooperative Research Activity: Structure and Dynamics of Molecular Activation on Surfaces (Materials Research)

这个项目的直接目标是对非均相化学反应的一个方面进行详细的了解，即在清洁和修饰的表面上小分子的吸收和解离的机制。长期目标是允许设计一种催化材料，以改善给定的化学反应或过程。目前感兴趣的表面包括单晶铁和某些过渡元素的氧化物、氮化物和硫化物，包括钛（Ti）、钼（Mo）、铁（Fe）和铂（Pt）。对于这些系统，相关技术将用于确定吸附反应中间体的结构、取向和电子性质；反应 动力学;和能量传递过程。重点将放在检查这些材料表面的详细几何和电子结构与它们非常有趣的表面化学之间的关系。

The immediate goal of this project is to work toward a detailed understanding of one aspect of a heterogeneous chemical reaction, namely, the mechanisms of absorption and dissociation of small molecules on clean and modified surfaces. The long-range goal is to permit the design of a catalytic material that will improve a given chemical reaction or process. The surfaces of present interest include single crystal iron and the oxides, nitrides, and sulfides of certain transition elements including titanium (Ti), molybdenum (Mo), iron (Fe), and platinum (Pt). As appropriate for these systems, the relevant techniques will be used to determine structure, orientation, and electronic properties of adsorbed reaction intermediates; reaction dynamics; and energy transfer processes. Emphasis will be on examining the relationship between the detailed geometric and electronic structures of the surfaces of these materials and their very interesting surface chemistries.