Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Anastasiia I. Fadeeva"'
Autor:
V. A. Gorbunov, P. V. Stishenko, A. V. Myshlyavtsev, Anastasiia I. Fadeeva, Olga S. Solovyeva
Publikováno v:
The Journal of Physical Chemistry C. 124:11506-11515
Supramolecular coordination self-assembly on the solid surface offers great possibilities for creating nanostructures and thin films with unique physicochemical properties. In this work, we present...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33cf28d897c7d193b711d1f0b4c40450
https://doi.org/10.1021/acs.jpcc.0c02527
https://doi.org/10.1021/acs.jpcc.0c02527
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(36)
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 groups and their position has been proposed. The model has been paramet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ee6b024cbec380d7426b3949e4c55b9
https://pubmed.ncbi.nlm.nih.gov/34490861
https://pubmed.ncbi.nlm.nih.gov/34490861
Publikováno v:
The Journal of Physical Chemistry C. 123:17265-17272
A lattice model of terephthalic acid (TPA) and iron ordering on the Cu(100) surface is proposed and investigated using Monte Carlo simulation in a grand canonical ensemble. We have an evidence that...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9329b71f7640a29eff96fc859ee676bf
https://doi.org/10.1021/acs.jpcc.9b02834
https://doi.org/10.1021/acs.jpcc.9b02834
Publikováno v:
Applied Mathematics and Fundamental Informatics. 6:017-024
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16363bc5617adab17613d8583fe4edd4
https://doi.org/10.25206/2311-4908-2019-6-1-17-24
https://doi.org/10.25206/2311-4908-2019-6-1-17-24
Autor:
Tatyana R. Kayumova, Anastasiia I. Fadeeva, Ilay P. Kolganov, A. V. Myshlyavtsev, Pavel V. Stishenko
Publikováno v:
Surface Science. 717:121984
We have investigated reduction of MXenes M2CO2 (M = Ti, V, Nb) surface by hydrogen using density functional theory and statistical physics methods. We have approximated lateral interactions between adsorbed hydrogen with simple pairwise potential. We
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13067e91bad5dc1d11a814e6277a6467
https://doi.org/10.1016/j.susc.2021.121984
https://doi.org/10.1016/j.susc.2021.121984
Publikováno v:
INTERNATIONAL CONFERENCE ON SCIENCE AND APPLIED SCIENCE (ICSAS2020).
In this work, using the lattice model of terephthalic acid (TPA) and iron metal–organic networks on the Cu(100) surface, the effect of point defects of the metal surface on thermal stability of two representative structures have been estimated. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d3adc65a26ad76c9149b7e7cab3e159c
https://doi.org/10.1063/5.0026792
https://doi.org/10.1063/5.0026792
Autor:
M.D. Myshlyavtseva, Myshlyavtsev Myshlyavtsev, V. A. Gorbunov, P. V. Stishenko, Galina D. Anisimova, Vasilii Fefelov, Tatiana Kayumova, S. S. Akimenko, Anastasiia I. Fadeeva
We offer the scientific community the Surface Science Modelling and Simulation Toolkit (SuSMoST), which includes a number of utilities and implementations of statistical physics algorithms and models. With SuSMoST one is able to predict or explain th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da20a010af1ab672036576c2b1d5728f
https://doi.org/10.26434/chemrxiv.8068307.v1
https://doi.org/10.26434/chemrxiv.8068307.v1
Publikováno v:
Applied Surface Science. 545:148989
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 thermal stability of surface confined metal-organic networks (S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e0e8b454b3d815274cb8ec424765860
https://doi.org/10.1016/j.apsusc.2021.148989
https://doi.org/10.1016/j.apsusc.2021.148989
Publikováno v:
AIP Conference Proceedings.
In this paper we investigated the adsorption layer of terephthalic acid molecules and Fe atoms on Cu(100) surface. On the basis of the experimentally obtained structures, a lattice gas model is developed and further analysis of its ground state is ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6048ce73a32a67d364a16d9fcfa3d3d8
https://doi.org/10.1063/1.5051848
https://doi.org/10.1063/1.5051848
Publikováno v:
AIP Conference Proceedings.
Using the molecular dynamics and the Monte Carlo methods, we have studied the structural features and growth mechanism of the pentacene film on graphite and polymethylmethacrylate /graphite surfaces. Monolayer capacity and molecular area, optimal ang
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af7abc2dd6de3d1e99bd0bf950d42eb9
https://doi.org/10.1063/1.4998824
https://doi.org/10.1063/1.4998824