A semiempirical description of functionalized nanodiamonds with NV- color centers
Vernadsky National Library of Ukraine
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
A semiempirical description of functionalized nanodiamonds with NV- color centers
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| Creator |
Luzanov, A.V.
Zhikol, O.A. Omelchenko, I.V. Nizovtsev, A.P. Kilin, S.Ya. Puchkarchuk, A.L. Puchkarchuk, V.A. |
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| Subject |
Modeling and simulation
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| Description |
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 nanodiamond surface. It is shown that only slight spectral shifts occur (batochromic shifts in case of the hydroxylation, and hypsochromic ones in case of the fluorination). The semiempirical approach demonstrates the ability to easily and simply handle nanoclusters with hundreds carbon atoms.
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| Date |
2017-06-12T14:23:59Z
2017-06-12T14:23:59Z 2016 |
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| Type |
Article
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| Identifier |
A semiempirical description of functionalized nanodiamonds with NV- color centers / A.V. Luzanov, O.A. Zhikol, I.V. Omelchenko, A.P. Nizovtsev, S.Ya. Kilin, A.L. Puchkarchuk, V.A. Puchkarchuk // Functional Materials. — 2016. — Т. 23, № 2. — С. 268-273. — Бібліогр.: 29 назв. — англ.
1027-5495 DOI: dx.doi.org/10.15407/fm23.02.268 http://dspace.nbuv.gov.ua/handle/123456789/120630 |
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| Language |
en
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| Relation |
Functional Materials
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| Publisher |
НТК «Інститут монокристалів» НАН України
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