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Властивості вуглецевих нанокластерів гексагональної форми

Equilibrium spatial structures of hexagon-shaped carbon nanoclusters (CNC) of С6–С216 size in the electronic ground-states were calculated by means of a density functional theory method (B3LYP, basis set 6-31 G**). Some relevant features were revealed:- С6 and С24 CNCs are ground-state singlets, С54...

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Bibliographic Details
Date:2013
Main Authors: Karpenko, O. S., Lobanov, V. V., Kartel, N. T.
Format: Article
Language:English
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2013
Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/214
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface

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