Frequencies of normal vibrations of oxygen complexes on silicon (111) face
M. I. Terebinska, V. V. Lobanov, A. G. Grebenyuk
Хімія, фізика та технологія поверхні · 2014
doi:10.15407/hftp05.01.010 (opens in a new tab)
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Abstract
The structure of molecular adsorption complex of O2 molecule on Si(111) face as well as those of the products of its further transformations up to formation of SiO4 - tetrahedron has been examined by means of density functional theory method (B3LYP, 6-31G**) within a cluster approach. Theoretically found IR-spectra of the adsorption structures have been compared with available literature data.
Abstract licence: CC BY
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