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Doubly charged clusters - neutral atom charge transfer: the role of the Coulombic repulsion

✍ Scribed by Bréchignac, C.; Cahuzac, Ph.; Concina, B.; Leygnier, J.

Book ID
113056021
Publisher
Springer
Year
2001
Tongue
English
Weight
135 KB
Volume
16
Category
Article
ISSN
1434-6060

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The chemical bond formation in oxygen-rich Si(n)O(m) clusters was investigated by sampling the potential energy surface of the model systems SiO + SiO(2) → Si(2)O(3) and (SiO)(2) + SiO(2) → Si(3)O(4) along a two-dimensional reaction coordinate, by density functional theory calculations. Evidence for