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首页> 外文期刊>The Journal of Chemical Physics >Appearance of bulk properties in small tungsten oxide clusters
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Appearance of bulk properties in small tungsten oxide clusters

机译:小型氧化钨团簇的外观

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Contrary to the conventional understanding that atomic clusters usually differ in properties and structure from the bulk constituents of which they are comprised, we show that even a dimer of tungsten oxide (WO3)(2) possesses bulklike features and the geometry of a small cluster containing only 4 tungsten and 12 oxygen atoms bears the hallmarks of crystalline tungsten oxide, WO3. This observation, based on a synergistic approach involving mass distributions under quasisteady state conditions, photoelectron spectroscopy, and first principles molecular orbital theory, not only illustrates the existence of a class of strongly covalent or ionic materials whose embryonic forms are tiny clusters but also lends the possibility that a fundamental understanding of complex processes such as catalytic reactions on surfaces may be achieved on an atomic scale with clusters as model systems. (C) 2004 American Institute of Physics.
机译:与通常的理解相反,原子团簇通常在性质和结构上与组成它们的主体组分不同,我们证明,即使二氧化钨(WO3)(2)的二聚体也具有类似主体的特征,并且含有只有4个钨和12个氧原子具有结晶氧化钨WO3的特征。该观察基于协同方法,涉及准稳态条件下的质量分布,光电子能谱和第一原理分子轨道理论,不仅说明了一类强共价或离子材料的存在,它们的胚胎形式是微小的团簇,而且有助于以簇为模型系统,可以在原子尺度上实现对复杂过程(例如表面催化反应)的基本理解的可能性。 (C)2004年美国物理研究所。

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