First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface: Does Chlorine or Copper Chloride Desorb? Научная публикация
Журнал |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Вых. Данные | Год: 2016, Том: 120, Номер: 5, Страницы: 2829-2836 Страниц : 8 DOI: 10.1021/acs.jpcc.5b11794 | ||||
Ключевые слова | Chlorine compounds; Copper; Desorption | ||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Российский фонд фундаментальных исследований | 15-02-99607 |
Реферат:
First-principle density-functional calculations have been applied to study the interaction of molecular chlorine with the (111) plane of copper. Using transition-state search method, we considered the elementary processes (Cl2 dissociation, adsorption, diffusion, association, and desorption) on the chlorinated Cu(111) surface. A systematic study of possible desorption pathways has been carried out for different species (Cl, Cl2, CuCl, CuCl2, and Cu) at various chlorine coverage. As a result, we concluded that chlorine monolayer irrespective of the coverage desorbs in the form of CuCl molecules from step edges.
Библиографическая ссылка:
Pavlova T.V.
, Andryushechkin B.V.
, Zhidomirov G.M.
First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface: Does Chlorine or Copper Chloride Desorb?
The Journal of Physical Chemistry C. 2016. V.120. N5. P.2829-2836. DOI: 10.1021/acs.jpcc.5b11794 WOS Scopus РИНЦ
First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface: Does Chlorine or Copper Chloride Desorb?
The Journal of Physical Chemistry C. 2016. V.120. N5. P.2829-2836. DOI: 10.1021/acs.jpcc.5b11794 WOS Scopus РИНЦ
Файлы:
Полный текст от издателя
Даты:
Поступила в редакцию: | 2 дек. 2015 г. |
Принята к публикации: | 11 янв. 2016 г. |
Опубликована online: | 27 янв. 2016 г. |
Опубликована в печати: | 11 февр. 2016 г. |
Идентификаторы БД:
Web of science | WOS:000370210400039 |
Scopus | 2-s2.0-84958044580 |
РИНЦ | 26826856 |
Chemical Abstracts | 2016:79334 |
Chemical Abstracts (print) | 164:217700 |
OpenAlex | W2239947795 |