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A semiempirical description of functionalized nanodiamonds with NV- color centers

A semiempirical description of functionalized nanodiamonds with NV- color centers

Possibilities of semiempirical AM1 method in descripting the nanodiamond spectral properties are investigated with the stress on the relevant functionalized systems containing nitrogen-vacancy color centers. We studied two types of functionalization - hydroxylation and fluorination of the nanodiamon...

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Bibliographic Details
Main Authors: Luzanov, A.V., Zhikol, O.A., Omelchenko, I.V., Nizovtsev, A.P., Kilin, S.Ya., Puchkarchuk, A.L., Puchkarchuk, V.A.
Format: Article
Language:English
Published: НТК «Інститут монокристалів» НАН України 2016
Series:Functional Materials
Subjects:
Modeling and simulation
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120630
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http://dspace.nbuv.gov.ua/handle/123456789/120630

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