Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › статья в сборнике материалов конференции › научная › Рецензирование
Raman spectra of the electrochemically lithiated TiO 2 anatase evidence that Li intercalation induces complex spectral features in the high wavenumber range. These modes can be assigned to the stretching vibrations of Li-O valence bonds. Two theoretical approaches are used to describe the vibrations of Li atoms within the TiO 2 lattice. First, the quantum-mechanical calculations of molecular clusters imitating the Li⋯TiO 2 system, which showed formation of covalent Li-O bonds and allowed an estimation of their force constants. Second, the lattice dynamics simulation which enabled to predict the whole spectrum of Li-phonons and their interaction with TiO 2 lattice vibrations. Complex structure of the observed Raman spectra is explained by multiplicity of the Li positions. This results in multiple Raman bands originated from the Li atom vibrations covering a wide frequency range from 450 up to 950 cm -1.
Язык оригинала | английский |
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Название основной публикации | WMSCI 2005 - The 9th World Multi-Conference on Systemics, Cybernetics and Informatics, Proceedings |
Страницы | 32-34 |
Число страниц | 3 |
Состояние | Опубликовано - 2005 |
Событие | 9th World Multi-Conference on Systemics, Cybernetics and Informatics, WMSCI 2005 - Orlando, FL, Соединенные Штаты Америки Продолжительность: 10 июл 2005 → 13 июл 2005 |
Название | WMSCI 2005 - The 9th World Multi-Conference on Systemics, Cybernetics and Informatics, Proceedings |
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Том | 6 |
конференция | 9th World Multi-Conference on Systemics, Cybernetics and Informatics, WMSCI 2005 |
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Страна/Tерритория | Соединенные Штаты Америки |
Город | Orlando, FL |
Период | 10/07/05 → 13/07/05 |
ID: 73027826