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Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio -assisted and time-resolved density functional simulations: Au@4He300/TiO2(110)

AuthorsLara Castells, María Pilar de ; Aguirre, Néstor F. ; Stoll, Hermann; Mitrushchenkov, Alexander O. ; Mateo, David; Pi, Martí
Issue Date3-Apr-2015
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 142 (13): 131101 (2015)
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)].
Description5 págs.; 3 figs.; 1 tab.
Publisher version (URL)http://dx.doi.org/10.1063/1.4916955
Identifiersdoi: 10.1063/1.4916955
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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