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Calculation of adsorption and interaction mechanisms of O₂ and CO₂ molecules on BaTiO₃ surface

The paper presents the results of quantum chemical calculations using
 the extended Huckel method for adsorption of O₂ and CO molecules on
 BaTiO₃ surface. It is shown that on (001) surface, the physical adsorption
 is dominant, whereas on (002) surface the chemical adsorptio...

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Bibliographic Details
Published in:Condensed Matter Physics
Date:2003
Main Authors: Sejkovskij, I.D., Zhiharev, V.N., Popik, Yu.V.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2003
Online Access:https://nasplib.isofts.kiev.ua/handle/123456789/120717
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Journal Title:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:Calculation of adsorption and interaction mechanisms of O₂ and CO₂ molecules on BaTiO₃ surface / I.D. Sejkovskij, V.N. Zhiharev, Yu.V. Popik // Condensed Matter Physics. — 2003. — Т. 6, № 2(34). — С. 281-292. — Бібліогр.: 11 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine

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