Colloid
Journal, 2010, Vol. 72, No. 6, pp. 771–779. © Pleiades Publishing, Ltd., 2010. Original
Russian Text © A.E. Galashev, O.R. Rakhmanova, A.A. Borisikhin, 2010, published
in Kolloidnyi Zhurnal, 2010, Vol. 72, No. 6, pp. 762–770.
IR Absorption and Raman Spectra of Silicon Dioxide Nanoparticles in the
Presence of Water: Computer Experiment
A. E. Galashev, O. R. Rakhmanova, and A. A. Borisikhin
Abstract—Interactions of (SiO2)50
clusters with 10, 20, 30, or 40 water molecules are studied by molecular dynamics
method. Flat SiO2 nanoparticle covered with a water layer is formed
after the inclusion of water molecules into the cluster. As a rule, the
integral intensity of IR and Raman spectra lowers after the absorption of H2O
molecules by the cluster. The power of IR radiation emitted by the cluster
increases nonmonotonically with the addition of water molecules to the cluster.
The absorption of water molecules by the cluster leads to a significant
increase in the absorption coefficient and only a slight increase in the
refractive index. The number of electrons participating in the interaction with
electromagnetic radiation increases with the
addition of water molecules to the cluster. /Colloi_Journ_N6_1.pdf
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