期刊
SCIENCE
卷 326, 期 5954, 页码 829-832出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.1179240
关键词
-
资金
- U. S. Department of Energy [DE-FG02-05ER15677]
- U.S. Department of Energy (DOE) [DE-FG02-05ER15677] Funding Source: U.S. Department of Energy (DOE)
Nonadiabatic coupling of nuclear motion to electronic excitations at metal surfaces is believed to influence a host of important chemical processes and has generated a great deal of experimental and theoretical interest. We applied a recently developed theoretical framework to examine the nature and importance of nonadiabatic behavior in a system that has been extensively studied experimentally: the scattering of vibrationally excited nitric oxide molecules from a Au(111) surface. We conclude that the nonadiabatic transition rate depends strongly on both the N-O internuclear separation and the molecular orientation and, furthermore, that molecule-surface forces can steer the molecule into strong-coupling configurations. This mechanism elucidates key features of the experiments and provides several testable predictions regarding the dependence of vibrational energy transfer on the initial vibrational energy, molecular orientation, and incident angle.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据