Gas-Surface Interactions: Spectroscopy and Dynamics

这项资助是在分析和表面化学的一般领域，以及在气体金属界面的反应动力学的子领域。加州大学圣巴巴拉分校的W·亨利·温伯格教授将继续他对气体在明确界定的金属表面上的反应的研究。当前工作的重点将是了解氮、氧和二氧化碳在Ru表面的解离吸附反应的促进和中毒的细节。对更复杂的多原子分子的进一步研究也将进行。将对反应动力学进行模拟，以确定特定反应通道在吸附过程中的影响。这项工作的结果将有助于理解控制催化反应的因素和界面反应的热力学。将探讨反应动力学中的几个相关问题。分子束化学与Ru(001)界面将探索与吸附的振动光谱，在复杂的表面反应产物。局部表面复盖效应将通过研究氧在Ru表面的化学吸附作为单分子膜中有序性的函数来探索。表面温度调制将被用来跟踪反应坐标并量化支化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.