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http://hdl.handle.net/10261/112219
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dc.contributor.author | Zanchet, Alexandre | - |
dc.contributor.author | Roncero, Octavio | - |
dc.contributor.author | Dorta-Urra, A. | - |
dc.contributor.author | Aguado, Alfredo | - |
dc.contributor.author | Martínez, José I. | - |
dc.contributor.author | Flores, Fernando | - |
dc.contributor.author | Lorente, Nicolás | - |
dc.date.accessioned | 2015-03-11T15:52:07Z | - |
dc.date.available | 2015-03-11T15:52:07Z | - |
dc.date.issued | 2014-07-08 | - |
dc.identifier | doi: 10.1103/PhysRevB.90.041404 | - |
dc.identifier | issn: 1550-235X | - |
dc.identifier.citation | Physical Review B 90: 041404(R) (2014) | - |
dc.identifier.uri | http://hdl.handle.net/10261/112219 | - |
dc.description | 5 pags.; 4 figs. PACS number(s): 73.63.Nm, 31.15.xv, 71.15.Mb | - |
dc.description.abstract | Nonequilibrium Green's functions calculations based on density functional theory show a direct link between the initial stages of H2 dissociation on a gold atomic wire and the electronic current supported by the gold wire. The simulations reveal that for biases below the stability threshold of the wire, the minimum-energy path for H2 dissociation is not affected. However, the electronic current presents a dramatic drop when the molecule initiates its dissociation. This current drop is traced back to quantum interference between electron paths when the molecule starts interacting with the gold wire. © 2014 American Physical Society. | - |
dc.description.sponsorship | This work has been supported by Comunidad Autonoma ´ de Madrid (CAM) under Grant No. S-2009/MAT/1467, by the Ministerio de Ciencia e Innovacion under Grant No. FIS2011- ´ 29596-C02, and by the European-Union Integrated Project AtMol. | - |
dc.publisher | American Physical Society | - |
dc.rights | openAccess | - |
dc.title | Electron transport signature of H2 dissociation on atomic gold wires | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1103/PhysRevB.90.041404 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevB.90.041404 | - |
dc.date.updated | 2015-03-11T15:52:07Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.relation.csic | Sí | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | open | - |
item.openairetype | artículo | - |
item.fulltext | With Fulltext | - |
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Electron.pdf | 757,69 kB | Adobe PDF | Visualizar/Abrir |
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