In:
Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 59, No. 7 ( 2010), p. 4598-
Abstract:
Geometric structures of (SiO2)n-(n≤7)anion clusters are optimized by using the generalized gradient approximation density functional theory. The energy and vibrational frequency have been calculated. The lowest energy (SiO2)4- cluster is found to be more thermodynamically favored compared with other neighboring sized cluster isomers. Additionally,the lowest energy (SiO2)n-(n≥4)clusters grow up regularly based on the lowest energy (SiO2)4- cluster.
Type of Medium:
Online Resource
ISSN:
1000-3290
,
1000-3290
Language:
Unknown
Publisher:
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Publication Date:
2010