Publikation:

Appearance of bulk properties in small tungsten oxide clusters

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JChemPhys1212004.pdf
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2004

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Sun, Qiang
Rao, Bijan K.
Jena, Purusottam
Stolcic, Davor
Kim, Young Dok
Castleman, Albert Welford

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Journal of Chemical Physics. 2004, 121(19), pp. 9417-9422. Available under: doi: 10.1063/1.1807374

Zusammenfassung

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.

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Fachgebiet (DDC)
530 Physik

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Tungsten oxides, Microclusters, Photoelectron spectroscopy, Molecular orbitals, Catalysis, Atoms

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ISO 690SUN, Qiang, Bijan K. RAO, Purusottam JENA, Davor STOLCIC, Young Dok KIM, Gerd GANTEFÖR, Albert Welford CASTLEMAN, 2004. Appearance of bulk properties in small tungsten oxide clusters. In: Journal of Chemical Physics. 2004, 121(19), pp. 9417-9422. Available under: doi: 10.1063/1.1807374
BibTex
@article{Sun2004Appea-9438,
  year={2004},
  doi={10.1063/1.1807374},
  title={Appearance of bulk properties in small tungsten oxide clusters},
  number={19},
  volume={121},
  journal={Journal of Chemical Physics},
  pages={9417--9422},
  author={Sun, Qiang and Rao, Bijan K. and Jena, Purusottam and Stolcic, Davor and Kim, Young Dok and Ganteför, Gerd and Castleman, Albert Welford}
}
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