Charge Transfer and Chemisorption
of Fullerene Molecules
on Metal Surfaces: Application to Dynamics of Nanocars
Alexey V. Akimov
Caitlin Williams
Anatoly B. Kolomeisky
10.1021/jp303549u.s001
https://acs.figshare.com/articles/journal_contribution/Charge_Transfer_and_Chemisorption_of_Fullerene_Molecules_on_Metal_Surfaces_Application_to_Dynamics_of_Nanocars/2509861
It is widely believed that the dynamics of surface-bound
fullerene
molecules is not fully understood because current theoretical analyses
do not include charge-transfer phenomena. A new theoretical approach
to describe charge transfer and chemisorption processes for fullerenes
on gold surfaces has been developed. The method is based on extensive
semiempirical calculations that provide a consistent description of
charge transfer and adsorption phenomena. Our theoretical approach
is applied for analyzing complex dynamics of fullerene-based molecular
machines, known as nanocars. It is found that the charge transfer
makes the rolling of nanocars' wheels a preferable mode for translational
motion because of the complex interactions with the metal surfaces.
The physical-chemical aspects of the rolling mechanism are discussed.
2012-06-28 00:00:00
phenomena
surface
approach
charge transfer
dynamic
fullerene
nanocar