The atomic geometry of oxygen-rich Ru(0001) surfaces:: coexistence of (1 x 1)O and RuO2(110) domains

被引：72

作者：

Kim, YD

Seitsonen, AP

Over, H

机构：

[1] Max Planck Gesell, Fritz Haber Inst, Dept Chem Phys, D-14195 Berlin, Germany

[2] Univ Roma La Sapienza, Dipartimento Fis, Unita Roma, INFM, I-00185 Rome, Italy

[3] IPP Garching, D-85748 Garching, Germany

来源：

SURFACE SCIENCE | 2000年 / 465卷 / 1-2期

关键词：

carbon dioxide; carbon monoxide; density functional calculations; low energy electron diffraction (LEED); metallic surfaces; oxidation; ruthenium; surface energy; surface structure; morphology; roughness; and topography;

D O I：

10.1016/S0039-6028(00)00733-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Employing the technique of low energy electron diffraction (LEED) in combination with density functional theory (DFT) calculations, we determined the atomic geometry of the oxygen-rich Ru(0001) surface, which was recently shown to be extraordinarily active in the conversion of CO towards CO2. The oxygen-rich Ru(0001) surface consists of areas (some 10 mum wide) covered by a (1 x 1)O overlayer in coexistence with ultrathin (10-20 Angstrom) patches of ruthenium dioxide RuO2 in (110) orientation. The oxide surface structure is characterized by a bulk-truncated RuO2(110) surface which is terminated by bridging oxygen rows. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：1 / 8

页数：8

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