High-throughput preparation of supramolecular nanostructures on metal surfaces
One of the contemporary challenges in materials science lies in the rapid materials
screening and discovery. Experimental sample libraries can be generated by high …
screening and discovery. Experimental sample libraries can be generated by high …
Halogenated anthracenes as building blocks for the on-surface synthesis of covalent polymers: structure prediction with the lattice Monte Carlo method
J Lisiecki, P Szabelski - The Journal of Physical Chemistry C, 2021 - ACS Publications
Functionalized polycyclic aromatic hydrocarbons (PAHs) have been recently recognized as
promising building blocks for surface-assisted polymerization reactions producing low …
promising building blocks for surface-assisted polymerization reactions producing low …
Monte Carlo simulations of the self-assembly of hierarchically organized metal-organic networks on solid surfaces
K Nieckarz, P Szabelski, D Nieckarz - Surface Science, 2022 - Elsevier
The coordination-driven self-assembly of two-dimensional (2D) supramolecular
architectures is a convenient method of rational construction of one-atom-thick …
architectures is a convenient method of rational construction of one-atom-thick …
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 …
molecules on atomically flat surfaces has been recognized, in the past decades, as an …
Theoretical Modeling of the Metal‐Organic Precursors of Anthracene‐Based Covalent Networks on Surfaces
J Lisiecki, P Szabelski - ChemPhysChem, 2022 - Wiley Online Library
Surface‐assisted fabrication of molecular network architectures has been a promising route
to low‐dimensional materials with unique physicochemical properties and functionalities …
to low‐dimensional materials with unique physicochemical properties and functionalities …
Metal-organic coordination networks on a titanium carbide MXene: DFT based grand canonical Monte Carlo simulation
VA Gorbunov, AI Uliankina, PV Stishenko… - Applied Surface …, 2022 - Elsevier
The self-assembly of 2D metal–organic networks comprising 1, 3, 5-tris (pyridyl) benzene
(TPyB) molecules and copper atoms on the oxygen-terminated titanium carbide MXene …
(TPyB) molecules and copper atoms on the oxygen-terminated titanium carbide MXene …
Off-Lattice Coarse-Grained Model of Surface-Confined Metal–Organic Architectures
VA Gorbunov, AI Uliankina… - The Journal of Physical …, 2023 - ACS Publications
An off-lattice model of self-assembling surface-confined metal–organic nanostructures
(SMONs) comprising tripod molecules has been developed. The model considers the …
(SMONs) comprising tripod molecules has been developed. The model considers the …
Melting of Fe-terephthalate layers on Cu (1 0 0) surface with randomly distributed point defects
AI Fadeeva, VA Gorbunov, PV Stishenko… - Applied Surface …, 2021 - Elsevier
In this theoretical work, we study the influence of the concentration and type of randomly
distributed point defects on crystalline solid surfaces on the possibility of self-assembly and …
distributed point defects on crystalline solid surfaces on the possibility of self-assembly and …
Engineering large nanoporous networks with size and shape selected by appropriate precursors
A Ceccatto, EM Freiberger, NJ Waleska-Wellnhofer… - Carbon, 2024 - Elsevier
Large domains of two-dimensional supramolecular porous nanostructures are interesting for
various applications from electronics to biology. Here, we investigate the formation of Cu …
various applications from electronics to biology. Here, we investigate the formation of Cu …
Monte Carlo simulations of the metal-directed self-assembly of Y-shaped positional isomers
K Nieckarz, D Nieckarz - Crystals, 2022 - mdpi.com
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 …
functions is an incredibly important aspect of nanotechnology. In particular, the on-surface …