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A Combined Photoelectron Spectroscopy and ab Initio Study of the Adsorbate System O2/PbTe(001) and the Oxide Layer Growth Kineticsстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Yashina L.V., Zyubina T.S., Puettner R., Zyubin A.S., Shtanov V.I., Tikhonov E.V.
- Журнал: Journal of Physical Chemistry C
- Том: 112
- Номер: 50
- Год издания: 2008
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 19995
- Последняя страница: 20006
- DOI: 10.1021/jp804153g
- Аннотация: The adsorption of molecular oxygen on PbTe(001) surfaces has been investigated using synchrotron radiation induced photoelectron spectroscopy (BESSY II, Berlin). The behavior of adsorbate system O-2/PbTe(001) was also modeled in complementary DFT-B3LYP studies using a large-cluster approach. For several possible adsorption structures, the adsorption enthalpies, the changes of the effective charges, and the core-level shifts induced by adsorption were calculated. For the energetically most favorable adsorption structures, the calculated chemical shifts are in good agreement with the experimental observations. Oxidation was observed at exposures above similar to 10(5) L of O-2, In total, three steps of oxidation were observed. The first step of the reaction is associated with the formation of Te-O-Pb bonds resulting in Te-0 states. The subsequent second step is characterized by a Te-0 -> Te4+ transformation with three O atoms attaching to each surface Te atom. As a result, -TeO32- species are formed. The third step is associated with the growth of the planar layer of PbTeO3. In the range of exposures from 10(11) to 10(15) L, the kinetics of this layer growth can be described with the time-logarithmic law. The oxide growth rate does not depend on the presence of water vapor.
- Добавил в систему: Яшина Лада Валерьевна