Role of the structure and reactivity of Cu and Ag surfaces in the formation of a 2D Metal–Hexahydroxytriphenylene network
A Rochefort, L Vernisse… - The Journal of …, 2021 - ACS Publications
We have investigated the role played by the atomic structure and reactivity of the supporting
Ag (111) and Cu (111) surfaces on the formation of 2D metal–organic networks (2D-MONs) …
Ag (111) and Cu (111) surfaces on the formation of 2D metal–organic networks (2D-MONs) …
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 …
creating nanostructures and thin films with unique physicochemical properties. In this work …
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 …
method to create low-dimensional covalently bonded structures with tailorable topology and …
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 …
Modeling of high-temperature ordered structures with weak intermolecular C–H··· F and C–H··· N bonds
A Ibenskas, EE Tornau - The Journal of Physical Chemistry C, 2021 - ACS Publications
The self-assembly of a hydrogen bond “donor–acceptor” system with fluorinated pyridyl
groups is considered to study the emergence of different ordered structures bonded by weak …
groups is considered to study the emergence of different ordered structures bonded by weak …
Simple lattice model of self-assembling metal–organic layers of pyridyl-substituted porphyrins and copper on Au (111) surface
AI Fadeeva, VA Gorbunov… - Physical Chemistry …, 2021 - pubs.rsc.org
A simple lattice model of metal–organic adsorption layers self-assembling on a Au (111)
surface and based on pyridyl-substituted porphyrins differing in the number of functional …
surface and based on pyridyl-substituted porphyrins differing in the number of functional …
SuSMoST: Surface Science Modeling and Simulation Toolkit
SS Akimenko, GD Anisimova… - Journal of …, 2020 - Wiley Online Library
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 …
(SuSMoST), which includes a number of utilities and implementations of statistical physics …
Simple lattice model of surface-confined metal–organic networks consisting of linear nitrogen-bearing molecules and transition metals
VA Gorbunov, AI Uliankina… - Molecular Systems Design …, 2023 - pubs.rsc.org
We propose a generalized lattice model that enables prediction of the phase behavior and
thermal stability of surface-confined metal–organic layers consisting of molecules with …
thermal stability of surface-confined metal–organic layers consisting of molecules with …