TWO-DIMENSIONAL WAVE PACKET STUDIES OF PHOTON-STIMULATED DESORPTION OF NO FROM A METAL SURFACE INDUCED BY SINGLE AND MULTIPLE ELECTRONIC EXCITATIONS
TWO-DIMENSIONAL WAVE PACKET STUDIES OF PHOTON-STIMULATED DESORPTION OF NO FROM A METAL SURFACE INDUCED BY SINGLE AND MULTIPLE ELECTRONIC EXCITATIONS
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单次和多次电子激发引起的金属表面光子激发 NO 解吸的二维波包研究
DOI：
10.1063/1.473333
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发表时间：
1997
影响因子：
4.4
通讯作者：
Hua Guo
中科院分区：
文献类型：
--
作者：
Hua Guo
用含时量子力学方法研究了一氧化氮（NO）在Pt（111）表面的光激脱附动力学。经验势能面与两个自由度（解吸和NO振动）的中性和阴离子状态。过渡之间的时间延迟的影响进行了研究与单，双激发/去激循环解吸。提出了一种适用于多激励过程的改进的蒙特卡罗抽样方案。对于涉及一个单一的激发解吸，计算的振动和动能分布的解吸NO同意非常好的实验观察。当脱附由多个激发驱动时，发现NO具有更高的振动激发。
The photon-stimulated desorption dynamics of nitric oxide (NO) from the Pt(111) surface is investigated using time-dependent quantum mechanics. Empirical potential energy surfaces with two degrees of freedom (desorption and NO vibration) are employed for both the neutral and anionic states. The influence of the time delay between transitions is investigated for desorption with single and double excitation/deexcitation cycles. An improved Monte Carlo sampling scheme is proposed for processes undergoing multiple excitations. For desorption involving a single excitation, the calculated vibrational and kinetic energy distributions of the desorbed NO agree very well with experimental observations. When desorption is driven by multiple excitations, higher vibrational excitation is found for NO.