Polimer junctions of fullerenes C60 with carbon atoms: calculation from first princips

Автор: Lisenkov S.V., Chernozatonskii L.A.

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Химическая физика

Статья в выпуске: 8, 2004 года.

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Based on functional density method calculations it has been predicted the existence of new carbon structures consisting fullerenes C60 connected to each other by carbon atom chain. The stability and electron structure of 1D, 2D and 3D these compounds have been studied. It has been shown that two base types of these junctions exist in depending on odd or even number of carbon atoms takes place in fullerene junctions. It has been found that these structures are narrow-band semi-conductors

Короткий адрес: https://sciup.org/14968540

IDR: 14968540

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