STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 × 4)–O Surface | Sciact - CRIS-система Института катализа

STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 × 4)–O Surface Научная публикация

Журнал

The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455

Вых. Данные

Год: 2018, Том: 122, Номер: 50, Страницы: 28862-28867 Страниц : 6 DOI: 10.1021/acs.jpcc.8b10443

Ключевые слова

Adsorption Atoms Chlorine compounds Density functional theory Oxygen Scanning tunneling microscopy Silver compounds Temperature

Авторы

Andryushechkin Boris V. ¹ , Shevlyuga Vladimir M. ¹ , Pavlova Tatiana V. ¹ , Zhidomirov Georgy M. ^1,2 , Eltsov Konstantin N. ^1,3

Организации

1	Prokhorov General Physics Institute of the Russian Academy of Sciences, Vavilov Street 38, 119991 Moscow, Russia
2	Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Lavrentieva Avenue 5, 630090 Novosibirsk, Russia
3	National Research University Higher School of Economics, Myasnitskaya Street 20, 101000 Moscow, Russia

Информация о финансировании (1)

Российский научный фонд

16-12-10546

Coadsorption of chlorine and oxygen on the Ag(111) surface has been studied with low-temperature scanning tunneling microscopy in combination with density functional theory calculations. Room-temperature adsorption of chlorine onto the Ag(111)-p(4 × 4)–O surface leads to the appearance of new bright objects located between protrusions of the 4 × 4 reconstruction. As chlorine adsorbs, objects form “rosettes” around corner holes. This configuration coincides with the configuration of the chlorine atoms in the Ag(111)-(3 × 3)–Cl reconstruction structure. We conclude that the adsorption of chlorine on the Ag(111)-p(4 × 4)–O surface occurs dissociatively, with chlorine atoms displacing oxygen atoms from the 4-fold positions. Adsorption of chlorine at 77 K results in the formation of the mixed Cl–O species on the Ag6 triangles of the p(4 × 4) reconstruction. Both scenarios of chlorine adsorption are unexpected and cannot be explained within a commonly accepted Ag6 model of the p(4 × 4) reconstruction.

Andryushechkin B.V. , Shevlyuga V.M. , Pavlova T.V. , Zhidomirov G.M. , Eltsov K.N.
STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 × 4)–O Surface
The Journal of Physical Chemistry C. 2018. V.122. N50. P.28862-28867. DOI: 10.1021/acs.jpcc.8b10443 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	26 окт. 2018 г.
Принята к публикации:	27 нояб. 2018 г.
Опубликована online:	29 нояб. 2018 г.
Опубликована в печати:	20 дек. 2018 г.

Web of science:	WOS:000454566700043
Scopus:	2-s2.0-85058569050
РИНЦ:	38636762
Chemical Abstracts:	2018:2365165
OpenAlex:	W2902163542

БД	Цитирований
Scopus	11
Web of science	11
РИНЦ	10
OpenAlex	11