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首页> 外文期刊>The Journal of Chemical Physics >Structural and electronic properties of Fe dopants in cobalt oxide nanoislands on Au(111)
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Structural and electronic properties of Fe dopants in cobalt oxide nanoislands on Au(111)

机译:Au(111)钴氧化物纳米岛Fe掺杂剂的结构和电子性质(111)

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摘要

Mixed metal oxides of earth-abundant 3d transition metals are an interesting class of materials that show interesting magnetic properties and a significant synergistic effect as catalysts for electrochemical oxygen evolution compared to simple unary oxides. However, the exact atomic-scale nature of such mixed oxide phases and the link to their interesting physico-chemical properties are poorly understood. Here, a combination of scanning tunneling microscopy and x-ray photoemission spectroscopy reveals that Fe species embed in a facile way into CoO bilayers on Au(111) resulting in an Fe doped oxide. Density functional theory and the spectroscopic fingerprint from x-ray photoemission spectroscopy reveal that the Fe dopants in the cobalt oxide matrix assume a higher oxidation state than in the structurally corresponding unary bilayer oxide. Furthermore, the substituted Fe is structurally displaced further away from the Au than the metal in either of the corresponding pure unary oxides. Both O and to a smaller extent Co in the nearest coordination shell are also structurally and electronically perturbed. The interesting effects observed in the bilayer binary oxides may enable a better fundamental understanding of the nature of doping of metal oxides, in general, and promotion effects in catalytic applications. Published under license by AIP Publishing.
机译:与简单的一元氧化物相比,地上氧化金属的混合金属氧化物是一种有趣的磁性和显着的协同效应,以及与简单的一元氧化物相比的电化学氧换催化剂的催化剂。然而,这种混合氧化阶段的精确原子标度性质和与其有趣的物理化学性质的连杆理解得很差。这里,扫描隧穿显微镜和X射线照相扫描光谱的组合揭示了在Au(111)上以容纳方式嵌入的Fe物种,得到Fe掺杂氧化物。密度函数理论和来自X射线照相光谱的光谱指纹揭示钴氧化物基质中的Fe掺杂剂呈比在结构上相应的联合双层氧化物中的较高的氧化态。此外,取代的Fe在结构上从Au离结构移位而不是相应的纯氧化物中的任一种的金属。在最近的协调壳中的o和较小的范围CO也在结构上和电子扰动。双层二进制氧化物中观察到的有趣效果可以更好地理解金属氧化物掺杂的性质,一般,催化应用中的促进作用。通过AIP发布在许可证下发布。

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