首页> 外文期刊>The Journal of Chemical Physics >X-ray emission spectroscopy of (2 root 3x2 root 3)R30 degrees CO/Ru(0001): Comparison to c(2x2) CO/Ni(100) and c(2x2)CO/Cu(100)
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X-ray emission spectroscopy of (2 root 3x2 root 3)R30 degrees CO/Ru(0001): Comparison to c(2x2) CO/Ni(100) and c(2x2)CO/Cu(100)

机译:(2根3x2根3)R30度CO / Ru(0001)的X射线发射光谱:与c(2x2)CO / Ni(100)和c(2x2)CO / Cu(100)的比较

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摘要

The atom specific electronic structure of (2root3x2root3)R30degreesCO on hcp Ru(0001) has been determined with resonantly excited x-ray emission spectroscopy. We find that the general features of the local adsorbate electronic structure are similar to the situation of CO adsorbed on the fcc metals Ni(100) and Cu(100). The interpretation of the surface chemical bond of (2root3x2root3)R30degreesCO/Ru(0001) based on the direct application of the local, allylic model from on-top adsorption on the fcc(100) surfaces Ni(100) and Cu(100) explains many aspects of the surface chemical bond. However, also nonlocal contributions like adsorbate-adsorbate interaction and the deviation from upright on-top adsorption on the Ru(0001) surface influence observables like the heat of adsorption and the Me-CO bond strength. (C) 2004 American Institute of Physics.
机译:hcp Ru(0001)上(2root3x2root3)R30degreesCO的原子特定电子结构已通过共振激发X射线发射光谱法确定。我们发现,局部吸附物电子结构的一般特征与fcc金属Ni(100)和Cu(100)上吸附CO的情况相似。 (2root3x2root3)R30degreesCO / Ru(0001)的表面化学键的解释是基于直接吸附在fcc(100)表面Ni(100)和Cu(100)上的局部烯丙基模型的解释表面化学键的许多方面。但是,非局部贡献(如被吸附物与被吸附物的相互作用以及与Ru(0001)表面上的直立顶部吸附的偏离)也会影响可观察到的结果,如吸附热和Me-CO键强度。 (C)2004年美国物理研究所。

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