Oxygen molecules on Ag(001) : superstructure, binding site and molecular orientation

Messerli, Stéphane (Université de Lausanne (UNIL), Lausanne, Switzerland) ; Schintke, Silvia (Université de Lausanne (UNIL), Lausanne, Switzerland) ; Morgenstern, Karina (Université de Lausanne (UNIL), Lausanne, Switzerland) ; Nieminen, Jouko (Tampere University of Technology, Tampere, Finland) ; Schneider, Wolf-Dieter (Université de Lausanne (UNIL), Lausanne, Switzerland)

Oxygen molecules on Ag(0 0 1), adsorbed at about 60 K, are found to form two-dimensional c(2×4) compact islands. We determine binding site and orientation of the molecules within the superstructure by comparing experimental and calculated scanning tunneling images in combination with molecular dynamics simulations. The molecule adsorbs in the thermodynamically stable fourfold hollow site with its molecular axis in the direction of short periodicity of the superstructure. Rehybridization of 1π and 2π orbitals on adsorption is at the origin of the observed image contrast.


Note: SCHINTKE, Silvia est une chercheuse à la HES-SO, HEIG-VD, depuis 2002.


Article Type:
scientifique
Faculty:
Ingénierie et Architecture
School:
HEIG-VD
Institute:
COMATEC - Institut de Conception, Matériaux, Emballage & Conditionnement
Date:
2000-10
Pagination:
7 p.
Published in:
Chemical Physics Letters
Numeration (vol. no.):
2000, vol. 328, no. 4-6, pp. 330-336
DOI:
ISSN:
0009-2614
Appears in Collection:

Note: The status of this file is: restricted


 Record created 2021-02-12, last modified 2021-02-19

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