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http://hdl.handle.net/10261/209597
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dc.contributor.author | Alducin Ochoa, Maite | - |
dc.contributor.author | Camillone, Nicholas | - |
dc.contributor.author | Hong, Sung-Young | - |
dc.contributor.author | Juaristi Oliden, Joseba Iñaki | - |
dc.date.accessioned | 2020-04-29T10:13:12Z | - |
dc.date.available | 2020-04-29T10:13:12Z | - |
dc.date.issued | 2019-12-13 | - |
dc.identifier | doi: 10.1103/PhysRevLett.123.246802 | - |
dc.identifier | e-issn: 1079-7114 | - |
dc.identifier | issn: 0031-9007 | - |
dc.identifier.citation | Physical Review Letters 123(24): 246802 (2019) | - |
dc.identifier.uri | http://hdl.handle.net/10261/209597 | - |
dc.description.abstract | Femtosecond laser induced desorption of CO from a CO-covered Pd(111) surface is investigated with ab initio molecular dynamics with electronic friction that incorporates effects due to the excited electronic and phononic systems, as well as out-of-phase coadsorbate interactions. Our simulations show evidence of an important electron-phonon synergy in promoting CO desorption that has largely been neglected in other similar systems. At the saturated coverage of 0.75 ML, effects due to CO-CO interadsorbate energy exchange are also important. Our dynamics simulations, in concert with site-specific desorption energy calculations, allow us to understand the large coverage dependence of the desorption yields observed in experiments. | - |
dc.description.sponsorship | M. A. and J. I. J. acknowledge financial support by the Gobierno Vasco-UPV/EHU project IT1246-19, and the Spanish Ministerio de Economía y Competitividad [Grant No. FIS2016-76471-P (AEI/FEDER, UE)]. The contributions of N. C. and S. Y. H. were suppomrted by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, & Biosciences Division, Condensed Phase and Interfacial Molecular Science Program, under Contract No. DESC0012704. | - |
dc.language | eng | - |
dc.publisher | American Physical Society | - |
dc.relation | info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2016-76471-P | - |
dc.relation.isversionof | Publisher's version | - |
dc.rights | openAccess | - |
dc.title | Electrons and phonons cooperate in the Laser-Induced desorption of CO from Pd(111) | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1103/PhysRevLett.123.246802 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevLett.123.246802 | - |
dc.date.updated | 2020-04-29T10:13:12Z | - |
dc.contributor.funder | Eusko Jaurlaritza | - |
dc.contributor.funder | Universidad del País Vasco | - |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | - |
dc.contributor.funder | European Commission | - |
dc.contributor.funder | Department of Energy (US) | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000780 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100000015 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003086 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.contributor.orcid | Alducin Ochoa, Maite [0000-0002-1264-7034] | - |
dc.contributor.orcid | Juaristi Oliden, Joseba Iñaki [0000-0002-4208-8464] | - |
dc.identifier.pmid | 31922860 | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
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