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Частоти нормальних коливань кисню на поверхні силіцію (111)

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...

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Bibliographische Detailangaben
Datum:2014
Hauptverfasser: Terebinska, M. I., Lobanov, V. V., Grebenyuk, A. G.
Format: Artikel
Sprache:Englisch
Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2014
Schlagworte:
поверхня кремнію
адсорбція кисню
інфрачервоні спектри
метод теорії функціонала густини
кластерний підхід
Online Zugang:https://www.cpts.com.ua/index.php/cpts/article/view/256
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Назва журналу:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface
Beschreibung
Zusammenfassung: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.

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