Lindan, PJD;
Harrison, NM;
Gillan, MJ;
(1998)
Mixed dissociative and molecular adsorption of water on the rutile (110) surface.
Physical Review Letters
, 80
(4)
762 - 762.
10.1103/PhysRevLett.80.762.
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Abstract
Using first-principles density-functional methods we show that a monolayer of water on the rutile (110) surface contains H2O in both molecular and dissociated forms. Intermolecular hydrogen bonding stabilizes this configuration with respect to the complete dissociative adsorption which would be predicted from studies at lower coverage. The proposed mixed adsorption mode is fully consistent with experimental data, reconciles apparent conflicts within these data, and explains discrepancies between experiment and previous calculations.
| Type: | Article |
|---|---|
| Title: | Mixed dissociative and molecular adsorption of water on the rutile (110) surface |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.80.762 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.80.762 |
| Language: | English |
| Additional information: | © 1998 The American Physical Society |
| Keywords: | water |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices 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/79579 |
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