Michaelides, A;
Ranea, VA;
de Andres, PL;
King, DA;
(2003)
General model for water monomer adsorption on close-packed transition and noble metal surfaces.
PHYS REV LETT
, 90
(21)
, Article 216102. 10.1103/PhysRevLett.90.216102.
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Abstract
Ab initio density functional theory has been used to investigate the adsorption of H2O on several close-packed transition and noble metal surfaces. A remarkably common binding mechanism has been identified. On every surface H2O binds preferentially at an atop adsorption site with the molecular dipole plane nearly parallel to the surface. This binding mode favors interaction of the H2O 1b(1) delocalized molecular orbital with surface wave functions.
| Type: | Article |
|---|---|
| Title: | General model for water monomer adsorption on close-packed transition and noble metal surfaces |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.90.216102 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.90.216102 |
| Language: | English |
| Additional information: | © 2003 The American Physical Society |
| Keywords: | PT(111), H2O, NI(110), RU(001) |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/146206 |
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