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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| Published in: | Functional Materials |
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| Date: | 2016 |
| Main Authors: | , , , , , , |
| Format: | Article |
| Language: | English |
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НТК «Інститут монокристалів» НАН України
2016
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/120630 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | 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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862549574913097728 |
|---|---|
| author | Luzanov, A.V. Zhikol, O.A. Omelchenko, I.V. Nizovtsev, A.P. Kilin, S.Ya. Puchkarchuk, A.L. Puchkarchuk, V.A. |
| author_facet | Luzanov, A.V. Zhikol, O.A. Omelchenko, I.V. Nizovtsev, A.P. Kilin, S.Ya. Puchkarchuk, A.L. Puchkarchuk, V.A. |
| citation_txt | 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. |
| collection | DSpace DC |
| container_title | Functional Materials |
| 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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| first_indexed | 2025-11-25T20:35:28Z |
| format | Article |
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| id | nasplib_isofts_kiev_ua-123456789-120630 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-11-25T20:35:28Z |
| publishDate | 2016 |
| publisher | НТК «Інститут монокристалів» НАН України |
| record_format | dspace |
| spelling | Luzanov, A.V. Zhikol, O.A. Omelchenko, I.V. Nizovtsev, A.P. Kilin, S.Ya. Puchkarchuk, A.L. Puchkarchuk, V.A. 2017-06-12T14:23:59Z 2017-06-12T14:23:59Z 2016 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 https://nasplib.isofts.kiev.ua/handle/123456789/120630 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. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation A semiempirical description of functionalized nanodiamonds with NV- color centers Article published earlier |
| spellingShingle | A semiempirical description of functionalized nanodiamonds with NV- color centers Luzanov, A.V. Zhikol, O.A. Omelchenko, I.V. Nizovtsev, A.P. Kilin, S.Ya. Puchkarchuk, A.L. Puchkarchuk, V.A. Modeling and simulation |
| title | A semiempirical description of functionalized nanodiamonds with NV- color centers |
| title_full | A semiempirical description of functionalized nanodiamonds with NV- color centers |
| title_fullStr | A semiempirical description of functionalized nanodiamonds with NV- color centers |
| title_full_unstemmed | A semiempirical description of functionalized nanodiamonds with NV- color centers |
| title_short | A semiempirical description of functionalized nanodiamonds with NV- color centers |
| title_sort | semiempirical description of functionalized nanodiamonds with nv- color centers |
| topic | Modeling and simulation |
| topic_facet | Modeling and simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/120630 |
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