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Title: Communication: Unraveling the {sup 4}He droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@{sup 4}He{sub 300}/TiO{sub 2}(110)

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid {sup 4}He droplets motion are combined to follow the short-time collision dynamics of the Au@{sup 4}He{sub 300} system with the TiO{sub 2}(110) surface. This composite approach demonstrates the {sup 4}He 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 {sup 4}He 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)].
Authors:
;  [1] ;  [2] ;  [3] ; ;  [4]
  1. Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain)
  2. Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany)
  3. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)
  4. Department ECM, Facultat de Física, and IN"2UB, Universitat de Barcelona, Diagonal 645, E-08028 Barcelona (Spain)
Publication Date:
OSTI Identifier:
22415591
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 13; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMS; DENSITY FUNCTIONAL METHOD; DEPOSITION; DROPLETS; EV RANGE; GOLD; HELIUM 4; NANOPARTICLES; SOLIDS; SUPERFLUIDITY; SURFACES; TIME DEPENDENCE; TIME RESOLUTION; TITANIUM OXIDES