Molecular self-assembly and reactions at surfaces provide a versatile and appealing
approach to nanomaterials synthesis, with a tremendous potential for engineering purpose …

The ability of catecholamines to undergo oxidative self-polymerization provides an attractive
route for preparation of coatings for biotechnology and biomedicine applications. However …

The rational fabrication of low-dimensional materials with a well-defined topology and
functions is an incredibly important aspect of nanotechnology. In particular, the on-surface …

We propose a model based on pairwise intermolecular interactions explaining the
occurrence of different structures in seemingly similar experiments of self-assembly of star …

We present a study of the q-orientational statistical model for the self-assembly of symmetric
triangular molecules of trimesic acid in two dimensions. Density functional theory is used to …

Surface-assisted fabrication of carbon-based covalent architectures has been a promising
pathway to low-dimensional materials with special physicochemical properties and …

Self-assembly of a two-component mixture of trimesic acid (TMA) and 1, 3, 5-benzene-
tribenzoic acid (BTB) was studied by a Monte Carlo calculation. To describe the ordering …

We present to the scientific community the Surface Science Modeling and Simulation Toolkit
(SuSMoST), which includes a number of utilities and implementations of statistical physics …

We performed reactive molecular dynamics (ReaxFF-MD) simulations to investigate host-
guest interactions between the porous honeycomb supramolecular network formed by …

Surface-confined self-assembly of star-shaped functional molecules has been recently
recognized as a promising method to fabricate extended superstructures with predefined …