Ідентифікація хімічного оточення молекул води, адсорбованих на поверхні анатазу: квантовохімічні розрахунки

Theoretical studies of the interactions of an oxygen molecule with the surface of a solid phase are of great importance for understanding the mechanisms of reactions involving oxygen on a solid surface. In this work, the spatial and electronic structure of oxygen defects and nitrogen impurity center...

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Bibliographic Details
Date:2019
Main Authors: Smirnova, O. V., Grebenyuk, A. G., Lobanov, V. V.
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2019
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Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/499
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface