Communication: Unraveling the He-4 droplet-mediated soft-landing from ab initio-assisted and time-resolved density functional simulations: Au@He-4(300)/TiO2(110)

摘要

An ab-initio-based methodological scheme for He-surface interactions and zero-temperature time-dependent density functional theory for superfluid He-4 droplets motion are combined to follow the short-time collision dynamics of the Au@He-4(300) system with the TiO2(110) surface. This composite approach demonstrates the He-4 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 He-4 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). (C) 2015 AIP Publishing LLC.