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首页> 外文期刊>The Journal of Chemical Physics >Scattering and trapping dynamics of gas-surface interactions: Theory and experiments for the Xe-graphite system
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Scattering and trapping dynamics of gas-surface interactions: Theory and experiments for the Xe-graphite system

机译:气体-表面相互作用的散射和俘获动力学:Xe-石墨系统的理论和实验

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We report on molecular beam experiments and molecular dynamics simulations of xenon scattering with incident energies E = 0.06- 5.65 eV from graphite. The corrugation felt by an atom interacting with the surface is found to be influenced by both surface temperature, T-s, and E. Angular distributions are significantly broadened when T-s is increased, clearly indicating corrugation induced by thermal motion of the surface also at the highest E employed. Direct scattering dominates for high E, while trapping becomes important for kinetic energies below 1 eV. The coupling between atom translation and surface modes in the normal direction is very effective, while trapped atoms only slowly accommodate their momentum parallel to the surface plane. The very different coupling normal and parallel to the surface plane makes transient (incomplete) trapping-desorption unusually pronounced for the Xe/graphite system, and atoms may travel up to 50 nm on the surface before desorption takes place. The nonlocal and soft character of the Xe-graphite interaction compared to interactions with close packed metal surfaces explains the observed high trapping probabilities and the lack of structural corrugation effects at high kinetic energies. Experimental results and simulations are in good agreement for a wide range of initial conditions, and we conclude that the model contains the most essential features of the scattering system. (C) 1998 American Institute of Physics. [S0021-9606(98)70447-7]. [References: 55]
机译:我们报道了来自石墨的入射能量为E = 0.06- 5.65 eV的氙散射的分子束实验和分子动力学模拟。发现与原子相互作用的原子所产生的波纹受到表面温度,Ts和E的影响。当Ts增大时,角分布会显着加宽,这清楚地表明了在最高E时由表面的热运动引起的波纹受雇。对于高E,直接散射起主要作用,而对于低于1 eV的动能,俘获变得重要。在垂直方向上原子平移和表面模式之间的耦合非常有效,而被捕获的原子仅缓慢地适应其平行于表面平面的动量。 Xe /石墨系统的法向和平行于表面平面的耦合非常不同,从而使瞬态(不完全)的俘获-解吸异常显着,并且原子可能在解吸发生之前在表面上传播高达50 nm。与紧密堆积的金属表面的相互作用相比,Xe-石墨相互作用的非局部和柔软特性解释了在高动能下观察到的高俘获概率和缺乏结构波纹效应。在广泛的初始条件下,实验结果和模拟结果吻合良好,我们得出的结论是该模型包含了散射系统的最基本特征。 (C)1998美国物理研究所。 [S0021-9606(98)70447-7]。 [参考:55]

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