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Bonding mechanism and atomic geometry of an ordered hydroxyl overlayer on Pt(111).
Seitsonen, A P; Zhu, Y; Bedürftig, K; Over, H.
Afiliación
  • Seitsonen AP; Contribution from the Department of Physical Chemistry, Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany.
J Am Chem Soc ; 123(30): 7347-51, 2001 Aug 01.
Article en En | MEDLINE | ID: mdl-11472164
Exposing water to a (2 x 2)-O precovered Pt(111) surface at 100 K and subsequently annealing at 155 K led to the formation of a well-ordered (square root 3 x square root 3)R30 degrees overlayer. The structure of this overlayer is determined by DFT and full dynamical LEED calculations. There are two O containing groups per (square root 3 x square root 3)R30 degrees unit cell and both occupy near on-top positions with a Pt-O bond length of (2.11 +/- 0.04) A. DFT calculations determined the hydrogen positions of the OH species and clearly indicate hydrogen bonds between the neighboring adsorbed OH groups whose interaction is mainly of electrostatic nature. A theoretical comparison with H(2)O shows the hybridization of OH on Pt(111) to be sp(3).
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Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Am Chem Soc Año: 2001 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Estados Unidos
Buscar en Google
Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Am Chem Soc Año: 2001 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Estados Unidos