Molecular dynamics simulations of C<inf>60</inf>on Au(1 1 1) reveal that the molecular diffusion consists of randomsequences of stick, slide, and stick and slip periods. Stochastic analysis of forty trajectories shows thatinitially C<inf>60</inf> follows a super-diffusive-sub-ballistic-like motion, which then turns into super-diffusive.Individual trajectories present a variety of diffusive motions that even include subdiffusion. The analysisof the displacement moments indicates Fractional Brownian motion (FBM), as underlying stochastic-mechanism, a finding further supported by the analysis of the velocity correlation function.
Sändig, N., Bakalis, E., Zerbetto, F. (2015). Stochastic analysis of movements on surfaces: The case of C<inf>60</inf>on Au(1 1 1). CHEMICAL PHYSICS LETTERS, 633(1), 163-168 [10.1016/j.cplett.2015.05.042].
Stochastic analysis of movements on surfaces: The case of C60 on Au(1 1 1)
BAKALIS, EVANGELOS;ZERBETTO, FRANCESCO
2015
Abstract
Molecular dynamics simulations of CI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.