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合金表面上CO的吸附位点和配体效应:直接观察

Adsorption sites and ligand effect for CO on an alloy surface: a direct view.

作者信息

Gauthier Y, Schmid M, Padovani S, Lundgren E, Bus V, Kresse G, Redinger J, Varga P

机构信息

Laboratoire de Cristallographie, CNRS, BP 166 X, F-38042 Grenoble Cedex 09, France.

出版信息

Phys Rev Lett. 2001 Jul 16;87(3):036103. doi: 10.1103/PhysRevLett.87.036103. Epub 2001 Jun 28.

Abstract

CO adsorption on a PtCo(111) surface was studied by scanning tunneling microscopy. Comparison of images with chemical contrast of Pt and Co and images showing the CO molecules indicates that CO resides exclusively on top of Pt sites and never on Co. CO bonding is highly sensitive to the chemical environment. The probability to find CO on a Pt atom increases drastically with the number of its Co nearest neighbors. Ab initio calculations show that this ligand effect is due to different positions of the center of the Pt d band.

摘要

通过扫描隧道显微镜研究了CO在PtCo(111)表面的吸附。将具有Pt和Co化学对比度的图像与显示CO分子的图像进行比较,结果表明CO仅位于Pt位点的顶部,而从不位于Co上。CO键合对化学环境高度敏感。在Pt原子上发现CO的概率随着其最近邻Co原子数量的增加而急剧增加。从头算计算表明,这种配体效应是由于Pt d带中心的不同位置所致。

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