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Effect of Hydrogen on the Formation of the Atomic Structure of Linear Carbon Chains: An Ab Initio Approachстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 9 июля 2015 г.
- Авторы: Korobova J.G., Bazhanov D.I.
- Журнал: JETP Letters
- Том: 93
- Номер: 11
- Год издания: 2011
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 652
- Последняя страница: 656
- DOI: 10.1134/S0021364011110063
- Аннотация: An ab initio study of the features of the formation of the atomic structure of carbon chains, which are struc tural parts of films of linear carbon chains, has been performed using the electron density functional theory. It has been shown that the formation and stabilization of experimentally observed kinks of carbon chains require the presence of hydrogen impurities in the chamber during the synthesis of linear carbon chains. The kinks of a carbon chain are formed in the process of the adsorption of hydrogen atoms on a chain. The optimal kink angle of carbon chains has been determined. The stability of kinks of carbon chains has been estimated as a function of the length of linear fragments. An additional mechanism has been proposed for the formation of kinks in carbon chains owing to the joining of short carbon chains with hydrogen ends.
- Добавил в систему: Коробова Юлия Геннадьевна