The Nature of the Active Sites of Titanium Oxide Photocatalysts Stabilized on an Active Carbon Surface. A Theoretical ab initio Study Научная публикация
Журнал |
Journal of Molecular Structure: THEOCHEM
ISSN: 0166-1280 |
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Вых. Данные | Год: 2000, Том: 529, Номер: 1-3, Страницы: 135-139 Страниц : 5 DOI: 10.1016/S0166-1280(00)00540-6 | ||||
Ключевые слова | Ab initio quantum chemical study, Active carbon, HF/Lan12dz level, Titanium oxide photocatalyst | ||||
Авторы |
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Организации |
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Реферат:
Ab initio quantum chemical studies at the HF/Lanl2dz level of theory were performed for two different cluster models representing a graphite surface and their interactions with dihydrogen, water, and four-coordinated titanium oxide. Both associative and dissociative channels of their interaction with the specific active sites on graphite were considered. Based on the results of these calculations, it was suggested that active sites for the titanium oxides on active carbon can be represented by the OTi(OH)3 fragment formed through the dehydroxylation of the surface OH-groups by the four-coordinated titanium oxide species.
Библиографическая ссылка:
Zhanpeisov N.U.
, Harada M.
, Anpo M.
The Nature of the Active Sites of Titanium Oxide Photocatalysts Stabilized on an Active Carbon Surface. A Theoretical ab initio Study
Journal of Molecular Structure: THEOCHEM. 2000. V.529. N1-3. P.135-139. DOI: 10.1016/S0166-1280(00)00540-6 WOS Scopus РИНЦ
The Nature of the Active Sites of Titanium Oxide Photocatalysts Stabilized on an Active Carbon Surface. A Theoretical ab initio Study
Journal of Molecular Structure: THEOCHEM. 2000. V.529. N1-3. P.135-139. DOI: 10.1016/S0166-1280(00)00540-6 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 6 нояб. 1999 г. |
Принята к публикации: | 22 февр. 2000 г. |
Опубликована online: | 24 авг. 2000 г. |
Опубликована в печати: | 8 сент. 2000 г. |
Идентификаторы БД:
Web of science | WOS:000089543600018 |
Scopus | 2-s2.0-0034623191 |
РИНЦ | 13353145 |
Chemical Abstracts | 2000:586588 |
Chemical Abstracts (print) | 133:251912 |
OpenAlex | W2025880173 |