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)
Résumé
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)].