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Bonding mechanism and atomic geometry of an ordered hydroxyl overlayer on Pt(111).
| Content Provider | Semantic Scholar |
|---|---|
| Author | Seitsonen, Ari Paavo Zhu, Yihan Bedürftig, Kolja Over, Herbert |
| Copyright Year | 2001 |
| Abstract | 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). |
| File Format | PDF HTM / HTML |
| DOI | 10.1021/ja015525l |
| PubMed reference number | 11472164 |
| Journal | Medline |
| Volume Number | 123 |
| Issue Number | 30 |
| Alternate Webpage(s) | http://www1.uni-giessen.de/pci/Homepage_Over/preprints/JACS123_7347_OH_Pt111.pdf |
| Alternate Webpage(s) | https://doi.org/10.1021/ja015525l |
| Journal | Journal of the American Chemical Society |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
