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DC Field | Value | Language |
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dc.contributor.author | Jennings, Paul C. | - |
dc.contributor.author | Aleksandrov, Hristiyan A. | - |
dc.contributor.author | Neyman, Konstantin M. | - |
dc.contributor.author | Johnston, Roy L. | - |
dc.date.accessioned | 2017-06-12T13:44:14Z | - |
dc.date.available | 2017-06-12T13:44:14Z | - |
dc.date.issued | 2015-01-07 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | http://hdl.handle.net/2445/112264 | - |
dc.description.abstract | Density functional theory calculations are performed to investigate oxygen dissociation on 38-atom truncated octahedron platinum-based particles. This study progresses our previous work (Jennings et al. Nanoscale, 2014, 6, 1153), where it was shown that flexibility of the outer Pt shell played a crucial role in facilitating fast oxygen dissociation. In this study, the effect of forming M@Pt (M core, Pt shell) particles for a range of metal cores (M = 3d, 4d, and 5d transition metals) is considered, with respect to O2 dissociation on the Pt(111) facets. We show that forming M@Pt particles with late transition metal cores results in favorable shell flexibility for very low O2 dissociation barriers. Conversely, alloying with early transition metals results in a more rigid Pt shell because of dominant M-Pt interactions, which prevent lowering of the dissociation barriers. | - |
dc.format.extent | 11 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.1021/jp511598e | - |
dc.relation.ispartof | Journal of Physical Chemistry C, 2015, vol. 119, num. 20, p. 11031-11041 | - |
dc.relation.uri | https://doi.org/10.1021/jp511598e | - |
dc.rights | cc-by (c) Jennings, Paul C. et al., 2015 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Ciència dels Materials i Química Física) | - |
dc.subject.classification | Metalls de transició | - |
dc.subject.classification | Catàlisi | - |
dc.subject.classification | Platí | - |
dc.subject.classification | Dissociació (Química) | - |
dc.subject.other | Transition metals | - |
dc.subject.other | Catalysis | - |
dc.subject.other | Platinum | - |
dc.subject.other | Dissociation | - |
dc.title | O2 dissociation on M@Pt core-shell particles for 3d, 4d and 5d transition metals | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 646852 | - |
dc.date.updated | 2017-06-12T13:44:14Z | - |
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) |
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