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| dc.creator | López, Núria (López Alonso) | |
| dc.creator | Lodziana, Zbigniew | |
| dc.creator | Illas i Riera, Francesc | |
| dc.creator | Salmeron, Miquel | |
| dc.date | 2010-07-05T09:13:36Z | |
| dc.date | 2010-07-05T09:13:36Z | |
| dc.date | 2004 | |
| dc.date.accessioned | 2024-12-16T10:24:19Z | |
| dc.date.available | 2024-12-16T10:24:19Z | |
| dc.identifier | 0031-9007 | |
| dc.identifier | http://hdl.handle.net/2445/13263 | |
| dc.identifier | 518833 | |
| dc.identifier.uri | http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/17452 | |
| dc.description | Recent experiments of H2 adsorption on Pd(111) [T. Mitsui et al., Nature (London) 422, 705 (2003)] have questioned the classical Langmuir picture of second order adsorption kinetics at high surface coverage requiring pairs of empty sites for the dissociative chemisorption. Experiments find that at least three empty sites are needed. Through density functional theory, we find that H2 dissociation is favored on ensembles of sites that involve a Pd atom with no direct interaction with adsorbed hydrogen. Such active sites are formed by aggregation of at least 3 H-free sites revealing the complex structure of the "active sites." | |
| dc.format | 4 p. | |
| dc.format | application/pdf | |
| dc.language | eng | |
| dc.publisher | American Physical Society | |
| dc.relation | Reproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.93.146103 | |
| dc.relation | Physical Review Letters, 2004, vol. 93, núm. 14, p. 146103-1-146103-4 | |
| dc.relation | http://dx.doi.org/10.1103/PhysRevLett.93.146103 | |
| dc.rights | (c) American Physical Society, 2004 | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | |
| dc.subject | Pel·lícules fines | |
| dc.subject | Química física | |
| dc.subject | Química de superfícies | |
| dc.subject | Thin films | |
| dc.subject | Physical chemistry and chemical physics | |
| dc.subject | Surface chemistry | |
| dc.title | When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage | |
| dc.type | info:eu-repo/semantics/article | |
| dc.type | info:eu-repo/semantics/publishedVersion |
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