Fluorine Patterning of Graphene: Effects of Fluorine Content and Temperature Научная публикация
Журнал |
Nanoscale
ISSN: 2040-3364 , E-ISSN: 2040-3372 |
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Вых. Данные | Год: 2021, Том: 13, Номер: 2, Страницы: 1206-1212 Страниц : 7 DOI: 10.1039/d0nr06325h | ||||||
Ключевые слова | ELECTRONIC-STRUCTURE; QUANTUM-CHEMISTRY; GRAPHITE | ||||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Российский фонд фундаментальных исследований | 19-32-60012 |
Реферат:
In this paper we present a successful approach for the generation of partially fluorinated graphene structures. A computationally simple model optimized on a large density functional theory dataset quickly and precisely predicts experimentally observed structures. From the analysis of the structural diversity of fluorinated graphene in a wide range of synthesis temperatures, the general structural patterns are identified and the conditions for their achievement are determined. In addition, to facilitate further studies of fluorinated graphene, we present a ready-to-use GenCF code that implements the described structure generator.
Библиографическая ссылка:
Yamaletdinov R.D.
, Nikiforov Y.A.
, Bulusheva L.G.
, Okotrub A.V.
Fluorine Patterning of Graphene: Effects of Fluorine Content and Temperature
Nanoscale. 2021. V.13. N2. P.1206-1212. DOI: 10.1039/d0nr06325h WOS Scopus РИНЦ
Fluorine Patterning of Graphene: Effects of Fluorine Content and Temperature
Nanoscale. 2021. V.13. N2. P.1206-1212. DOI: 10.1039/d0nr06325h WOS Scopus РИНЦ
Файлы:
Полный текст от издателя
Даты:
Поступила в редакцию: | 1 сент. 2020 г. |
Принята к публикации: | 27 нояб. 2020 г. |
Опубликована online: | 10 дек. 2020 г. |
Опубликована в печати: | 14 янв. 2021 г. |
Идентификаторы БД:
Web of science | WOS:000610368100063 |
Scopus | 2-s2.0-85099779492 |
РИНЦ | 44991409 |
Chemical Abstracts | 2020:2543831 |
Chemical Abstracts (print) | 174:589358 |
PMID (PubMed) | 33404033 |
OpenAlex | W3111629839 |