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http://hdl.handle.net/2445/66314
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DC Field | Value | Language |
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dc.contributor.author | Kozlov, Sergey | - |
dc.contributor.author | Aleksandrov, Hristiyan A. | - |
dc.contributor.author | Neyman, Konstantin M. | - |
dc.date.accessioned | 2015-07-13T11:52:03Z | - |
dc.date.available | 2016-02-06T23:01:30Z | - |
dc.date.issued | 2015-02-06 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | http://hdl.handle.net/2445/66314 | - |
dc.description.abstract | Absorbed hydrogen can dramatically increase hydrogenation activity of Pd nanoparticles and was predicted to do so also for Pt. This calls for investigations of the energetic stability of absorbed H in Pd and Pt using nanoparticle models as realistic as possible, i.e., (i) sufficiently large, (ii) supported, and (iii) precovered by hydrogen. Herein, hydrogen absorption is studied in MgO(100)-supported 1.6 nm large Pd and Pt nanoparticles with surfaces saturated by hydrogen. The effect of surface H on the stability of absorbed H is found to be significant and to exceed the effect of the support. H absorption is calculated to be endothermic in Pt, energy neutral in Pd(111) and bare Pd nanoparticles, and exothermic in H-covered Pd nanoparticles. Hence, we identify the abundance of surface H and the nanostructuring of Pd as prerequisites for facile absorption of hydrogen in Pd and for the concomitantly altered catalytic activity. | - |
dc.format.extent | 7 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Versió postprint del document publicat a: http://dx.doi.org/10.1021/jp513022m | - |
dc.relation.ispartof | Journal of Physical Chemistry C, 2015, vol. 119, p. 5180-5186 | - |
dc.relation.uri | http://dx.doi.org/10.1021/jp513022m | - |
dc.rights | (c) American Chemical Society , 2015 | - |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Nanopartícules | - |
dc.subject.classification | Catàlisi | - |
dc.subject.classification | Hidrogenació | - |
dc.subject.other | Nanoparticles | - |
dc.subject.other | Catalysis | - |
dc.subject.other | Hydrogenation | - |
dc.title | Energetic stability of absorbed H in Pd and Pt nanoparticles in a more realistic environment | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 646851 | - |
dc.date.updated | 2015-07-13T11:52:03Z | - |
dc.relation.projectID | info:eu-repo/grantAgreement/EC/H2020/692146/EU//Materials Networking | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
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646851.pdf | 2.09 MB | Adobe PDF | View/Open |
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