Geodesic
Catalytic pyrene and pyrene butyric acid condensation as a means of producing graphene
Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 106-109

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In the present study, we have conducted molecular modeling of a potential method of graphene sheet formation. As the nano-sized blocks from which graphene can be synthesized, pyrene and pyrene butyric acid are chosen. The potential of several compounds (namely, Pt, Pd, Ni, AlCl$_3$ and PdCl$_4$) as catalysts for hydrocarbon condensation has been estimated by semiempirical calculations. The heat of formation in the series Pt, Pd, Ni, PdCl$_4$, AlCl$_3$ for pyrene is reduced to a minimum and reaches a value of 99 kJ/mol, and for pyrene butyric acid in the series Pt, Ni, Pd, PdCl$_4$, AlCl$_3$ decreases to 295 kJ/mol. According to the results of calculations, Pt and Ni can be the most effective catalysts for this reaction. As a substrate (or 2D nanoscale), we propose to use a surface of water or a monolayer of surfactants on water (this method is realized by the Langmuir–Blodgett method) having a 2D crystal structure whose state can be controlled by external conditions.
Keywords: catalytic condensation, Langmuir–Blodgett method, 2D nanotemplate.
Mots-clés : graphene, polycyclic aromatic hydrocarbons, semiempirical computations 
@article{NANO_2018_9_1_a26,
     author = {O. A. Shinkarenko and M. V. Pozharov and A. S. Kolesnikova and A. S. Chumakov and A. J. K. Al-Alwani and O. Yu. Tsvetkova and E. G. Glukhovskoy},
     title = {Catalytic pyrene and pyrene butyric acid condensation as a means of producing graphene},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {106--109},
     publisher = {mathdoc},
     volume = {9},
     number = {1},
     year = {2018},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a26/}
}
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AU  - M. V. Pozharov
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AU  - O. Yu. Tsvetkova
AU  - E. G. Glukhovskoy
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%A O. Yu. Tsvetkova
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O. A. Shinkarenko; M. V. Pozharov; A. S. Kolesnikova; A. S. Chumakov; A. J. K. Al-Alwani; O. Yu. Tsvetkova; E. G. Glukhovskoy. Catalytic pyrene and pyrene butyric acid condensation as a means of producing graphene. Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 106-109. http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a26/