Вплив допування цирконієм на властивості дефектного діоксиду титану: квантовохімічні розрахунки

The spatial and electronic structures of cluster (Ti13ZrH22O39, Ti13ZrN2H22O37, Ti13ZrN2H22O36 ) which model pure titanium dioxide (anatase modification) and that with zirconium impurities as well as pure zirconium composition (ZrO2 content), are considered. The theoretically calculated infrared, el...

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Bibliographic Details
Date:2019
Main Authors: Смірнова, О. В., Гребенюк, А. Г., Лобанов, В. В.
Format: Article
Language:Ukrainian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2019
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Online Access:https://surfacezbir.com.ua/index.php/surface/article/view/678
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Journal Title:Surface
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Surface