Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstrasse 3, 91058 Erlangen, Germany.
J Chem Phys. 2010 Jul 7;133(1):014706. doi: 10.1063/1.3456732.
The adsorption and thermal evolution of ethene (ethylene) on clean and oxygen precovered Ni(111) was investigated with high resolution x-ray photoelectron spectroscopy using synchrotron radiation at BESSY II. The high resolution spectra allow to unequivocally identify the local environment of individual carbon atoms. Upon adsorption at 110 K, ethene adsorbs in a geometry, where the two carbon atoms within the intact ethene molecule occupy nonequivalent sites, most likely hollow and on top; this new result unambiguously solves an old puzzle concerning the adsorption geometry of ethene on Ni(111). On the oxygen precovered surface a different adsorption geometry is found with both carbon atoms occupying equivalent hollow sites. Upon heating ethene on the clean surface, we can confirm the dehydrogenation to ethine (acetylene), which adsorbs in a geometry, where both carbon atoms occupy equivalent sites. On the oxygen precovered surface dehydrogenation of ethene is completely suppressed. For the identification of the adsorbed species and the quantitative analysis the vibrational fine structure of the x-ray photoelectron spectra was analyzed in detail.
使用 BESSY II 同步辐射的高分辨率 X 射线光电子能谱研究了乙烯（ethene）在清洁和氧预覆盖的 Ni(111)上的吸附和热演化。高分辨率谱图能够明确识别单个碳原子的局部环境。在 110 K 下吸附时，乙烯以两种方式吸附，即在完整乙烯分子中的两个碳原子占据不等价的位置，最有可能是中空和顶部；这一新结果明确解决了关于乙烯在 Ni(111)上的吸附几何形状的旧难题。在氧预覆盖的表面上，发现了另一种吸附几何形状，两个碳原子占据等价的中空位置。在清洁表面上加热乙烯时，我们可以确认脱氢生成乙炔（ethyne），它以两个碳原子占据等价位置的方式吸附。在氧预覆盖的表面上，乙烯的脱氢反应完全被抑制。为了识别吸附物种和进行定量分析，详细分析了 X 射线光电子能谱的振动精细结构。
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