CALCULATION OF ADSORPTION AND INTERACTION MECHANISMS OF O<sub>2</sub> AND CO<sub>2</sub> MOLECULES ON BaTiO<sub>3</sub> SURFACE
The paper presents the results of quantum chemical calculations using the extended Huckel method for adsorption of O<sub>2</sub> and CO molecules on BaTiO<sub>3</sub> surface. It is shown that on (001) surface, the physical adsorption is dominant, whereas on (002) surface the...
Main Authors: | I.D.Sejkovskij, V.N.Zhiharev, Yu.V.Popik |
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Format: | Article |
Language: | English |
Published: |
Institute for Condensed Matter Physics
2003-01-01
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Series: | Condensed Matter Physics |
Subjects: | |
Online Access: | http://dx.doi.org/10.5488/CMP.6.2.281 |
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