氢和一氧化碳在铂上的共吸附相互作用
Coadsorbed H and CO interaction on platinum.
作者信息
Roman Tanglaw, Nakanishi Hiroshi, Kasai Hideaki
机构信息
Division of Precision Science & Technology and Applied Physics, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka, Japan.
出版信息
Phys Chem Chem Phys. 2008 Oct 21;10(39):6052-7. doi: 10.1039/b806186f. Epub 2008 Aug 21.
The behavior of hydrogen near a platinum-surface-adsorbed carbon monoxide molecule is described using a potential energy term constructed from density functional theory. A clear nonattractive interaction of hydrogen with CO is confirmed, most notably with oxygen, which retains its strong H-repulsive traits in the Pt-bound CO case. Inhibiting effects of CO greater than what is expected from simple adsorption site exclusion are discussed with regard to adsorption/desorption and mobility on platinum, as well as possibilities of COH and HCO formation.
利用由密度泛函理论构建的势能项来描述铂表面吸附的一氧化碳分子附近氢的行为。证实了氢与一氧化碳之间存在明显的非吸引相互作用，最显著的是与氧的相互作用，在铂结合的一氧化碳情况下，氧保留了其强烈的氢排斥特性。讨论了一氧化碳的抑制作用大于简单吸附位点排斥所预期的抑制作用，涉及铂上的吸附/解吸和迁移率，以及一氧化碳氢和碳酸氢根形成的可能性。
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