Kirchhoff and electron curvature indexes for SiC nanoclusters
To characterize carborundum nanoclusters (nano-SiC) we employ the topological Kirchhoff index and average energy of molecular graphs. Additionally, electron-kinematic indexes which reflect an average curvature of electron paths in molecule, are invoked. The main polytypes, namely, 3C-SiC and 2pH-SiC...
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| Дата: | 2017 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2017
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| Назва видання: | Functional Materials |
| Теми: | |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/136807 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Kirchhoff and electron curvature indexes for SiC nanoclusters / A.V. Luzanov // Functional Materials. — 2017. — Т. 24, № 3. — С. 434-441. — Бібліогр.: 35 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
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irk-123456789-1368072018-06-17T03:04:02Z Kirchhoff and electron curvature indexes for SiC nanoclusters Luzanov, A.V. Modeling and simulation To characterize carborundum nanoclusters (nano-SiC) we employ the topological Kirchhoff index and average energy of molecular graphs. Additionally, electron-kinematic indexes which reflect an average curvature of electron paths in molecule, are invoked. The main polytypes, namely, 3C-SiC and 2pH-SiC, p = 1÷4, are investigated. It is established that the topological indexes make only a slight distinction between nano-SiC of the different polytypes. Quite the opposite, the electron curvature indexes provide a clear discrimination of the polytypes. In particular, the curvature indexes are ordered just in the same manner as the hexagonality measure known for such polytypes. For the electron curvatures, an effective algorithm is elaborated, allowing us to analyze nano-SiC with 10⁴ and more atoms even by using laptops. 2017 Article Kirchhoff and electron curvature indexes for SiC nanoclusters / A.V. Luzanov // Functional Materials. — 2017. — Т. 24, № 3. — С. 434-441. — Бібліогр.: 35 назв. — англ. 1027-5495 DOI: https://doi.org/10.15407/fm24.03.434 http://dspace.nbuv.gov.ua/handle/123456789/136807 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Luzanov, A.V. Kirchhoff and electron curvature indexes for SiC nanoclusters Functional Materials |
| description |
To characterize carborundum nanoclusters (nano-SiC) we employ the topological Kirchhoff index and average energy of molecular graphs. Additionally, electron-kinematic indexes which reflect an average curvature of electron paths in molecule, are invoked. The main polytypes, namely, 3C-SiC and 2pH-SiC, p = 1÷4, are investigated. It is established that the topological indexes make only a slight distinction between nano-SiC of the different polytypes. Quite the opposite, the electron curvature indexes provide a clear discrimination of the polytypes. In particular, the curvature indexes are ordered just in the same manner as the hexagonality measure known for such polytypes. For the electron curvatures, an effective algorithm is elaborated, allowing us to analyze nano-SiC with 10⁴ and more atoms even by using laptops. |
| format |
Article |
| author |
Luzanov, A.V. |
| author_facet |
Luzanov, A.V. |
| author_sort |
Luzanov, A.V. |
| title |
Kirchhoff and electron curvature indexes for SiC nanoclusters |
| title_short |
Kirchhoff and electron curvature indexes for SiC nanoclusters |
| title_full |
Kirchhoff and electron curvature indexes for SiC nanoclusters |
| title_fullStr |
Kirchhoff and electron curvature indexes for SiC nanoclusters |
| title_full_unstemmed |
Kirchhoff and electron curvature indexes for SiC nanoclusters |
| title_sort |
kirchhoff and electron curvature indexes for sic nanoclusters |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2017 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/136807 |
| citation_txt |
Kirchhoff and electron curvature indexes for SiC nanoclusters / A.V. Luzanov // Functional Materials. — 2017. — Т. 24, № 3. — С. 434-441. — Бібліогр.: 35 назв. — англ. |
| series |
Functional Materials |
| work_keys_str_mv |
AT luzanovav kirchhoffandelectroncurvatureindexesforsicnanoclusters |
| first_indexed |
2023-10-18T21:14:15Z |
| last_indexed |
2023-10-18T21:14:15Z |
| _version_ |
1796152281297584128 |