Atomic-scale structure and catalytic reactivity of the RuO2(110) surface
Atomic-scale structure and catalytic reactivity of the RuO2(110) surface
复制标题
DOI：
10.1126/science.287.5457.1474
复制
发表时间：
2000-02-25
期刊：
影响因子：
56.9
通讯作者：
Ertl, G
中科院分区：
文献类型：
--
作者：
Over, H;Kim, YD;Ertl, G
用低能电子衍射、扫描隧道显微镜和密度泛函计算研究了RuO2(110)表面的结构和催化一氧化碳氧化的机理。RuO2(110)表面暴露了桥氧原子和没有被氧覆盖的Ru原子，后者充当配位不饱和中心-这是很久以前提出的一个解释氧化物表面催化活性的假说-一氧化碳可以在那里化学吸附，并从那里与邻近的晶格氧反应生成二氧化碳。在稳态条件下，消耗的晶格氧通过从气相吸收氧气来持续恢复。这些结果从原子尺度上验证了最初由Mars和van Krevelen于1954年提出的一般机理，并可能对氧化物表面的催化反应机理具有普遍的相关性。
The structure of RuO2(110) and the mechanism for catalytic carbon monoxide oxidation on this surface were studied by Low-energy electron diffraction, scanning tunneling microscopy, and density-functional calculations. The RuO2(110) surface exposes bridging oxygen atoms and ruthenium atoms not capped by oxygen, The Latter act as coordinatively unsaturated sites-a hypothesis introduced Long ago to account for the catalytic activity of oxide surfaces-onto which carbon monoxide can chemisorb and from where it can react with neighboring Lattice-oxygen to carbon dioxide, Under steady-state conditions, the consumed Lattice-oxygen is continuously restored by oxygen uptake from the gas phase. The results provide atomic-scale verification of a general mechanism originally proposed by Mars and van Krevelen in 1954 and are likely to be of general relevance for the mechanism of catalytic reactions at oxide surfaces.