STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 x 4)-O Surface

被引：9

作者：

Andryushechkin, Boris V. ^{[1
]}

Shevlyuga, Vladimir M. ^{[1
]}

Pavlova, Tatiana V. ^{[1
]}

Zhidomirov, Georgy M. ^{[1
,2
]}

Eltsov, Konstantin N. ^{[1
,3
]}

机构：

[1] Russian Acad Sci, Prokhorov Gen Phys Inst, Vavilov St 38, Moscow 119991, Russia

[2] Russian Acad Sci, Boreskov Inst Catalysis, Siberian Branch, Lavrentieva Ave 5, Novosibirsk 630090, Russia

[3] Natl Res Univ, Higher Sch Econ, Myasnitskaya St 20, Moscow 101000, Russia

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2018年 / 122卷 / 50期

基金：

俄罗斯科学基金会;

关键词：

DESORPTION PROPERTIES; STRUCTURAL CHEMISTRY; ETHYLENE EPOXIDATION; SODIUM-CHLORITE; ATOMIC OXYGEN; OXIDE-FILM; SILVER; CHEMISORPTION; COADSORPTION; KINETICS;

D O I：

10.1021/acs.jpcc.8b10443

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 X 4)-O surface leads to the appearance of new bright objects located between protrusions of the 4 X 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 X 3) Cl reconstruction structure. We conclude that the adsorption of chlorine on the Ag(111)-p(4 x 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 Ag-6 triangles of the p(4 X 4) reconstruction. Both scenarios of chlorine adsorption are unexpected and cannot be explained within a commonly accepted Ag-6 model of the p(4 X 4) reconstruction.

引用

页码：28862 / 28867

页数：6

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