Appearance of bulk properties in small tungsten oxide clusters.

Autor: Sun, Q., Rao, B. K., Jena, P., Stolcic, D., Kim, Y. D., Gantefor, Gerd, Castleman, Jr., A. W.
Předmět:
Zdroj: Journal of Chemical Physics; 11/15/2004, Vol. 121 Issue 19, p9417-9422, 6p, 11 Diagrams, 1 Chart, 1 Graph
Abstrakt: 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. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]
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