Gas-Surface Interactions: Spectroscopy and Dynamics

该补助金用于分析和表面化学的一般领域以及气体金属界面反应动力学的子领域。教授W。位于圣巴巴拉的加州大学的亨利温伯格将继续他对气体在轮廓分明的金属表面上的反应的研究。目前工作的重点将是了解的细节的促进和中毒的解离吸附反应的氮，氧和二氧化碳在钌表面。更复杂的多原子分子的进一步研究也将完成。将完成反应动力学的模拟，以确定吸附过程中的特定反应通道的影响。这项工作的结果将导致在界面上的催化反应和反应热力学的因素的理解。将探讨反应动力学中的几个相关问题。Ru（001）界面的分子束化学将与吸附物的振动光谱学进行探索，以下复杂的表面反应的产物。局部表面覆盖效应将探讨通过研究氧的化学吸附在Ru表面上作为一个功能的命令在单层。表面温度调制将用于跟踪反应坐标并量化分支单分子解离反应的反应速率系数。二级表面反应的蒙特卡罗模拟将探索动力学参数的补偿效应。

This grant is in the general field of analytical and surface chemistry and in the subfield of reaction dynamics at gas metal interfaces. Professor W. Henry Weinberg of the University of California at Santa Barbara will continue his studies of the reactions of gases at well defined metal surfaces. The focus of the current work will be the understanding of the details of the promotion and poisoning of the dissociative adsorption reactions of nitrogen, oxygen and carbon dioxide at ruthenium surfaces. Further studies with more complex polyatomic molecules will also be done. Simulations of the reaction dynamics will be accomplished to determine the effects of specific reaction channels in the adsorption process. The results of this work will lead to an understanding of the factors governing catalytic reactions and the thermodynamics of reactions at the interface. Several related issues in reaction dynamics will be explored. Molecular beam chemistry with the Ru(001) interface will be explored with vibrational spectroscopy of the adsorbates, following the products of complex surface reactions. Local surface coverage effects will be explored by studying oxygen chemisorption on the Ru surface as a function of order in the monolayer. Surface temperature modulation will be used to follow the reaction coordinates and quantify the reaction rate coefficients of a branching unimolecular dissociation reaction. Monte Carlo simulations of second order surface reactions will explore compensation effects in kinetic parameters.