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

Abstract : An ab-initio-based methodological scheme for He-surface interactions and zero-temperature timedependent 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)].
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https://hal-upec-upem.archives-ouvertes.fr/hal-01432737
Contributor : Alexander Mitrushchenkov <>
Submitted on : Thursday, January 12, 2017 - 9:22:47 AM
Last modification on : Friday, October 4, 2019 - 1:33:34 AM

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María Pilar Delara Castells, Néstor F. Aguirre, Hermann Stoll, Alexander O. Mitrushchenkov, David Mateo, et al.. Communication: Unraveling the 4 He droplet-mediated soft-landing from ab initio -assisted and time-resolved density functional simulations: Au@ 4 He 300 /TiO 2 (110). Journal of Chemical Physics, American Institute of Physics, 2015, 142 (13), pp.131101. ⟨10.1063/1.4916955⟩. ⟨hal-01432737⟩

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