Structure and dynamics of CO overlayers on a hydroxylated metal oxide:: The polar ZnO(0001) surface

被引：22

作者：

Kunat, M ^{[1
]}

Meyer, B

Traeger, F

Wöll, C

机构：

[1] Ruhr Univ Bochum, Lehrstuhl Phys Chem 1, D-44780 Bochum, Germany

[2] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2006年 / 8卷 / 13期

关键词：

D O I：

10.1039/b515553c

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：

The adsorption and desorption of CO on the hydroxylated, O-terminated polar ZnO(000 (1) over bar) surface has been studied using He-atom scattering. The experimental results reveal the formation of a physisorbed ordered CO overlayer. In addition to recording angular distributions of elastically scattered He atoms, also the dynamical properties of the CO overlayer have been investigated using inelastic He-atom scattering. With the aid of electronic structure calculations a loss peak with an energy transfer of 7.2 meV is assigned to the frustrated translation of the CO molecule normal to the surface.

引用

页码：1499 / 1504

页数：6

共 38 条

[1] Adsorption probability of CO on a metal oxide:: The case of oxygen-terminated ZnO and the influence of defects [J].

Becker, T ;

Boas, C ;

Burghaus, U ;

Wöll, C .

PHYSICAL REVIEW B, 2000, 61 (07) :4538-4541

[2] Adsorption dynamics of CO on the polar surfaces of ZnO [J].

Becker, T ;

Kunat, M ;

Boas, C ;

Burghaus, U ;

Wöll, C .

JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (15) :6334-6343

[3] Dipole correction for surface supercell calculations [J].

Bengtsson, L .

PHYSICAL REVIEW B, 1999, 59 (19) :12301-12304

[4] MOLECULAR ORBITAL VIEW OF CHEMISORBED CARBON MONOXIDE [J].

BLYHOLDER, G .

JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (10) :2772-&

[5] Surface phonon dispersion curves for a hexagonally close packed metal surface: Ru(0001) [J].

Braun, J ;

Kostov, KL ;

Witte, G ;

Surnev, L ;

Skofronick, JG ;

Safron, SA ;

Woll, C .

SURFACE SCIENCE, 1997, 372 (1-3) :132-144

[6] Thermal desorption from ordered chemisorbed phases studied by helium scattering: Oxygen on Ag(110) [J].

Canepa, M ;

Terreni, S ;

Narducci, E ;

Mattera, L .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (04) :2257-2263

[7] HIGH-RESOLUTION ELECTRON-ENERGY LOSS VIBRATIONAL STUDIES OF CO COORDINATION TO THE (1010) SURFACE OF ZNO [J].

DAMICO, KL ;

MCFEELY, FR ;

SOLOMON, EI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (21) :6380-6383

[8] ADSORPTION OF GASES ON SOLID-SURFACES [J].

FREUND, HJ .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1995, 99 (11) :1261-1281

[9]

Frisch M.J., 1998, GAUSSIAN 98

[10] STRUCTURE AND DYNAMICS OF CO/MGO(001) - A HELIUM ATOM SCATTERING STUDY [J].

GERLACH, R ;

GLEBOV, A ;

LANGE, G ;

TOENNIES, JP ;

WEISS, H .

SURFACE SCIENCE, 1995, 331 :1490-1495

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