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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Journal of Chemical Physics, American Institute of Physics, 2015, 142 (13), pp.131101. 〈10.1063/1.4916955〉
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https://hal-upec-upem.archives-ouvertes.fr/hal-01432737
Contributeur : Alexander Mitrushchenkov <>
Soumis le : jeudi 12 janvier 2017 - 09:22:47
Dernière modification le : jeudi 11 janvier 2018 - 06:22:28

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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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