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http://hdl.handle.net/10261/130317
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dc.contributor.author | Lara Castells, María Pilar de | - |
dc.contributor.author | Aguirre, Néstor F. | - |
dc.contributor.author | Stoll, Hermann | - |
dc.contributor.author | Mitrushchenkov, Alexander O. | - |
dc.contributor.author | Mateo, David | - |
dc.contributor.author | Pi, Martí | - |
dc.date.issued | 2015-04-03 | - |
dc.identifier | doi: 10.1063/1.4916955 | - |
dc.identifier | issn: 0021-9606 | - |
dc.identifier.citation | Journal of Chemical Physics 142 (13): 131101 (2015) | - |
dc.identifier.uri | http://hdl.handle.net/10261/130317 | - |
dc.description | 5 págs.; 3 figs.; 1 tab. | - |
dc.description.abstract | © 2015 AIP Publishing LLC. An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid 4He droplets motion are combined to follow the short-time collision dynamics of the Au@4He300 system with the TiO2(110) surface. This composite approach demonstrates the 4He droplet-assisted sticking of the metal species to the surface at low landing energy (below 0.15 eV/atom), thus providing the first theoretical evidence of the experimentally observed 4He droplet-mediated soft-landing deposition of metal nanoparticles on solid surfaces [Mozhayskiy et al., J. Chem. Phys. 127, 094701 (2007) and Loginov et al., J. Phys. Chem. A 115, 7199 (2011)]. | - |
dc.description.sponsorship | This work has been supported by Grant Nos. CCG08-CSIC/ESP-3680 from CSIC-CM, FIS2011-29596-C02-01 and FIS2011-28617-C02-01 from DGI, Spain (FEDER), and 2009SGR1289 from Generatitat de Catalunya. The support of COST Action CM1405 “Molecules in Motion (MOLIM)” is also acknowledged. The Cesga Super-Computer Center (Galicia) and the Centro Técnico de Informática (CTI, CSIC) are acknowledged for allocating computer time. | - |
dc.publisher | American Institute of Physics | - |
dc.relation | MICINN/FIS2011-29596-C02-01 | - |
dc.relation | MICINN/FIS2011-28617-C02-01 | - |
dc.relation.isversionof | Publisher's version | - |
dc.rights | openAccess | - |
dc.title | Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio -assisted and time-resolved density functional simulations: Au@4He300/TiO2(110) | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1063/1.4916955 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.4916955 | - |
dc.date.updated | 2016-03-21T11:25:36Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.contributor.funder | Consejo Superior de Investigaciones Científicas (España) | - |
dc.contributor.funder | Ministerio de Ciencia e Innovación (España) | - |
dc.contributor.funder | Generalitat de Catalunya | - |
dc.contributor.funder | European Cooperation in Science and Technology | - |
dc.contributor.funder | Centro de Supercomputación de Galicia | - |
dc.relation.csic | Sí | - |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003339 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100004837 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100002809 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100000921 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.fulltext | With Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.openairetype | artículo | - |
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Communication.pdf | 2,45 MB | Adobe PDF | Visualizar/Abrir |
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