Comparative Quantum Chemical Examination of Lithiation/Delithiation Processes in Si<sub>n</sub> Nanoclusters and C<sub>m</sub>Si<sub>n</sub> Nanocomposites

Comparative Quantum Chemical Examination of Lithiation/Delithiation Processes in Si<sub>n</sub> Nanoclusters and C<sub>m</sub>Si<sub>n</sub> Nanocomposites

A comparative quantum chemical (РМ3 method) examination has been carried out of lithiation/delithiation processes in Sin nanoclusters and СmSin nanocomposites. These processes in the nanocomposites (25 and ~30% С, respectively) have been shown to effect slightly on the volumes and structures of init...

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Bibliographic Details
Main Authors:	M. T. Kartel, V. S. Kuts, A. G. Grebenyuk, Yu. А. Tarasenko
Format:	Article
Language:	English
Published:	Chuiko Institute of Surface Chemistry of NAS of Ukraine 2015-02-01
Series:	Хімія, фізика та технологія поверхні
Subjects:	silicon nanoclusters silicon-carbon nanocomposites lithiation/delithiation specific volume semiempirical quantum chemical treatment
Online Access:	https://cpts.com.ua/index.php/cpts/article/view/313
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