Molecular diffusion in monolayer and submonolayer nitrogen

Effects on the structure of monolayer and submonolayer fluid nitrogen films by the corrugation in the holding potential of nitrogen molecules

Guided self-assembly of molecular dipoles on a substrate surface

Molecules adsorbed on a substrate surface can self-assemble into a monolayer. This article models the process of self-assembly guided by an external object. The molecules are electric dipoles, diffusing on the surface at an elevated temperature. Pre-pattern a flat mask with a submonolayer of immobile atoms, which gives rise to a patterned contact potential field. Bring the mask to a small dista...

Impact of heterocirculene molecular symmetry upon two-dimensional crystallization

Despite the development of crystal engineering, it remains a great challenge to predict the crystal structure even for the simplest molecules, and a clear link between molecular and crystal symmetry is missing in general. Here we demonstrate that the two-dimensional (2D) crystallization of heterocirculenes on a Au(111) surface is greatly affected by the molecular symmetry. By means of ultrahigh...

Molecular-dynamics simulations of the dynamical excitations in commensurate submonolayer films of nitrogen molecules on graphite.

Molecular Dynamics Simulation on Permeation of Acetone/Nitrogen Mixed Gas through Al2O3 Microporous Membranes

In this work, molecular dynamics (MD) was performed to simulate the dynamic processes of 1:4 acetone/nitrogen permeating through different Al2O3 membranes by Materials Studio 2.2 software package. Three modeling systems were constructed applying different modeling box lengths as well as different hollow size and texture of Al2O3 membranes to compare different permeation behaviors. In each syste...