Thermodynamics of self-assembled molecular layers of trimesic acid from fields-supported kinetic Monte Carlo simulation

EA Ustinov, VA Gorbunov, SS Akimenko - … Chemistry Chemical Physics, 2022 - pubs.rsc.org
In this study we present a thermodynamic analysis of several self-assembled molecular
layers of trimesic acid (TMA), gas–solid and solid–solid transitions in such layers using the …

Tensor renormalization group study of orientational ordering in simple models of adsorption monolayers

VA Gorbunov, AI Uliankina, SS Akimenko… - Physical Review E, 2023 - APS
A simple lattice model of the orientational ordering in organic adsorption layers that
considers the directionality of intermolecular interactions is proposed. The symmetry and the …

Deposition-temperature-and solvent-dependent 2D supramolecular assemblies of trimesic acid at the liquid–graphite interface revealed by scanning tunneling …

DCY Nguyen, L Smykalla, TNH Nguyen… - The Journal of …, 2016 - ACS Publications
We investigated the self-assembly of trimesic acid (TMA) at the solution–graphite interface
by using scanning tunneling microscopy (STM). We show that the polymorphism of the …

Homologous series of flower phases in metal–organic networks on Au (111) surface

AI Fadeeva, VA Gorbunov, OS Solovyeva… - The Journal of …, 2020 - ACS Publications
Supramolecular coordination self-assembly on the solid surface offers great possibilities for
creating nanostructures and thin films with unique physicochemical properties. In this work …

Thermodynamics of rigid self-assembled crystals: molecular simulation of two-phase systems under external fields

EA Ustinov, VA Gorbunov… - The Journal of Physical …, 2021 - ACS Publications
A general methodology for determining the thermodynamic characteristics of orientationally
ordered rigid crystals is presented. The basic problem here is associated with a very small …

Coverage‐Controlled Superstructures of C3‐Symmetric Molecules: Honeycomb versus Hexagonal Tiling

T Jasper‐Tönnies, M Gruber, S Ulrich… - Angewandte …, 2020 - Wiley Online Library
The competition between honeycomb and hexagonal tiling of molecular units can lead to
large honeycomb superstructures on surfaces. Such superstructures exhibit pores that may …

On-surface self-assembly of metal-organic architectures: insights from computer simulations

K Gdula, D Nieckarz - The Journal of Physical Chemistry C, 2020 - ACS Publications
Molecular self-assembly based on the spontaneous arrangement of simple, functional
molecules on atomically flat surfaces has been recognized, in the past decades, as an …

Self-assembly of molecular tripods in two dimensions: structure and thermodynamics from computer simulations

P Szabelski, W Rżysko, T Pańczyk, E Ghijsens… - RSC Advances, 2013 - pubs.rsc.org
Controlled self-organization of molecular building blocks into low-dimensional ordered
superstructures is a promising method of fabrication of functional materials with tunable …

Directing the self-assembly of tripod molecules on solid surfaces: a Monte Carlo simulation approach

P Szabelski, W Rżysko… - The Journal of Physical …, 2016 - ACS Publications
Directing the self-assembly of organic molecules toward low-dimensional superstructures
has been an attractive method of fabrication of functional materials with programmable …

Thermodynamic versus kinetic control in self-assembly of zero-, one-, quasi-two-, and two-dimensional metal-organic coordination structures

T Lin, Q Wu, J Liu, Z Shi, PN Liu, N Lin - The Journal of chemical …, 2015 - pubs.aip.org
Four types of metal-organic structures exhibiting specific dimensionality were studied using
scanning tunneling microscopy and Monte Carlo simulations. The four structures were self …