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Polar- and Azimuth-Angle-Dependent Rotational and Vibrational Excitation of Desorbing Product CO2 in CO Oxidation on Palladium Surfaces

机译:钯表面上CO氧化中解吸产物CO2的极性和方位角相关的旋转和振动激发

摘要

Clear polar and azimuth angle dependencies were found in rotational and vibrational energies of product CO2 in CO oxidation on Pd surfaces. On Pd(110)-(1×1), with increases in polar angle, both energies decreased in the [001] direction but remained constant in [1[overline 1]0]. On the Pd(110) with missing rows, both energies increased in [001] but decreased in [1[overline 1]0], indicating that the transition state changes with the geometry of the substrate. On Pd(111), the rotational energy greatly increased, but the vibrational energy decreased. Such angular dependence of internal energy provides new dimensions in surface reaction dynamics.
机译:在Pd表面CO氧化过程中,产物CO2的旋转能和振动能中发现了明显的极角和方位角依赖性。在Pd(110)-(1×1)上,随着极角的增加,两个能量都在[001]方向上减小,但在[1 [overline 1] 0]上保持恒定。在缺少行的Pd(110)上,两个能量都在[001]中增加,但在[1 [上线1] 0]中减小,这表明过渡态随基板的几何形状而变化。在Pd(111)上,旋转能大大增加,但振动能却降低了。内部能量的这种角度依赖性为表面反应动力学提供了新的维度。

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