Вид документа : Статья из журнала Шифр издания : 54/E 43 Автор(ы) : Zainullina V. M., Zhukov V. P., Krasil'nikov V. N., Yanchenko M. Yu., Buldakova L. Yu., Polyakov E. V. Заглавие : Electronic Structure and the Optical and Photocatalytic Properties of Anatase Doped with Vanadium and Carbon Место публикации : Physics of the Solid State. - 2010. - vol. 52, № 2. - С. 271-280: il. Примечания : Bibliogr. : p. 279-280 (45 ref.) ISSN: 1063-7834 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): анатаз--ванадий--карбон--фотокаталитические свойства--электронная структура Аннотация: The electronic structures of undoped anatase and anatase doped with carbon and vanadium have been calculated using the ab initio tight binding linear muffin tin orbital (TB-LMTO) method in the LSDA + U approximation. It has been shown that the doping of TiO2 leads to the formation of narrow bands of the C and V impurity states in the band gap. The calculations of the imaginary part of the dielectric function have made it possible to estimate the intensity of the optical absorption. It has been established that the doping with vanadium and carbon leads to optical absorption in the visible range and to an increase in the absorption in the ultraviolet range up to 4 eV. This should result in an increase in the photocatalytic activity on the surface of the doped anatase. The experimental determination of the photocatalytic activity of whiskers of the anatase doped with carbon and vanadium in the reaction of hydroquinone oxidation has confirmed the increase in the activity of the doped materials under exposure to ultraviolet, visible, and blue light. The phenomenon of dark catalysis in the anatase doped with carbon and vanadium has been interpreted within the concept of low-energy electronic excitations between the impurity levels of carbon Доп.точки доступа: Zainullina, V. M.; Zhukov, V. P.; Жуков Владлен Петрович; Krasil'nikov, V. N.; Красильников Владимир Николаевич; Yanchenko, M. Yu.; Buldakova, L. Yu.; Polyakov, E. V.; Поляков Евгений Валентинович