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 …

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 …

Surface-confined metal–organic precursors comprising naphthalene-like derivatives with differently distributed halogen substituents: A Monte Carlo model

J Lisiecki, P Szabelski - The Journal of Physical Chemistry C, 2020 - ACS Publications
The on-surface synthesis of organic polymers has been recently recognized as a useful
method to create low-dimensional covalently bonded structures with tailorable topology and …

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 …

On-surface self-assembly of tetratopic molecular building blocks

D Nieckarz, W Rżysko, P Szabelski - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
Self-assembly of functional molecules on solid substrates has recently attracted special
attention as a versatile method for the fabrication of low dimensional nanostructures with …

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 …

Statistical model for self-assembly of trimesic acid molecules into homologous series of flower phases

A Ibenskas, EE Tornau - Physical Review E—Statistical, Nonlinear, and Soft …, 2012 - APS
The statistical three-state model is proposed to describe the ordering of triangular TMA
molecules into flower phases. The model is solved on a rescaled triangular lattice, assuming …

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 …

Triangles on a triangular lattice: Insights into self-assembly in two dimensions driven by shape complementarity

SS Akimenko, AV Myshlyavtsev, MD Myshlyavtseva… - Physical Review E, 2022 - APS
A series of models for reversible filling of a triangular lattice with equilateral triangles has
been developed and investigated. There are eight distinct models that vary in the set of …

Two-dimensional self-assembly of a symmetry-reduced tricarboxylic acid

JM MacLeod, Z Ben Chaouch, DF Perepichka… - Langmuir, 2013 - ACS Publications
Investigations of the self-assembly of simple molecules at the solution/solid interface can
provide useful insight into the general principles governing supramolecular chemistry in two …