Laitice Dynamics of Commensurate Monolayers Adsorbed on Graphite

Dynamics of xenon, krypton, and methane monolayers in registry with graphite.

The self-consistent phonon (SCP) theory is used to study the dynamics of monolayers of xenon, krypton, and methane adsorbed on graphite. Only the ~3Xv 3 sohd phase is considered. It is shown that the phonon energies of the Xe monolayers are very similar to those of their Soating counterparts, while the interaction of the Kr and CH4 monolayers vnth the graphite signNcantly a8ects the phonon disp...

Evidence for Kosterlitz-Thouless-type orientational ordering of CF3Br monolayers physisorbed on graphite

Monolayers of the halomethane CF3Br adsorbed on graphite have been investigated by x-ray diffraction. The layers crystallize in a commensurate triangular lattice. On cooling they approach a three-sublattice antiferroelectric pattern of the in-plane components of the dipole moments. The ordering is not consistent with a conventional phase transition, but points to Kosterlitz-Thouless behavior. I...

Molecular dynamics studies of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite

Structural and phase properties of tetracosane (C24H50) monolayers adsorbed on graphite: an explicit hydrogen molecular dynamics study.

We discuss molecular dynamics (MD) computer simulations of a tetracosane (C24H50) monolayer physisorbed onto the basal plane of graphite. The adlayer molecules are simulated with explicit hydrogens, and the graphite substrate is represented as an all-atom structure having six graphene layers. The tetracosane dynamics modeled in the fully atomistic manner agree well with experiment. The low-temp...

The structure of deuterated benzene films adsorbed on the graphite (0001) basal plane: what happens below and above the monolayer coverage?

An exact description of the interactions in aromatic carbon systems is a key condition for the design of carbon based nanomaterials. In this paper we investigate the binding and adsorbate structure of the simplest prototype system in this class - the single aromatic ring molecule benzene on graphite. We have collected neutron diffraction data of the ordered phase of deuterated benzene, C6D6, ad...