PERILEN ASOSLI ORGANIK NANOKRISTALLARNING NUKLEATSIYAOLDI JARAYONLARINI MODELLASHTIRISH
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Perilen asosli organik nanokristallar turli sohalarda qo‘llanilayotgan bo‘lsada, ular sintezining ilk bosqichlari hisoblangan
nukleatsiyaoldi jarayonlarining eksperimental natijalar orqali tushunilishi hali ham murakkabligicha qolmoqda. Shuning uchun,
ushbu ishda, reaktiv molekulyar dinamika (MD) modellashtirish usulini qo‘llagan holda, tanlangan yassi perilen (PERLEN08 va
WUFJEM) molekulalari asosidagi organik kristal sintezining nukleatsiyaoldi jarayonlari tabiati o‘rganildi. Olingan natijalar
shunga dalolat qiladiki, qo‘shimcha metoxy guruhi molekulalarning klasterlanish tezligiga hamda hosil bo‘lgan klasterlar
strukturasiga sezilarli ta’sir ko‘rsatadi. Undan tashqari, ikkala holatda ham klasterlarning paydo bo‘lishi Ostvald suyultirish
qonuniga asoslanib, Gibbs erkin energiyasi bo‘yicha tahlil bu hodisa klasterlarning hajmiy barqarorligiga bog‘liq ekanligini
ko‘rsatdi. Umuman olganda, ushbu tadqiqot zamonaviy nanotexnologiyada qo‘llaniluvchi yassi perilen molekulalariga
asoslangan organik nanokristallar sintezining boshqaruvi uchun uning dastlabki bosqichlarini yaxshiroq tushunishga yordam
beradi.
1. R. Cox, L. A. Ferris, and V. R. Thalladi, Selective Growth of a Stable Drug Polymorph by Suppressing the Nucleation of
Corresponding Metastable Polymorphs, Angew. Chem. 2007, 119, 4411.
2. R. J. Davey, S. L. M. Schroeder, and J. H. ter Horst, Nucleation of Organic Crystals-A Molecular Perspective, Angew.
Chem. Int. Ed. 2013, 52, 2166.
3. T. Ishizaka, H. Kasai, H. Oikawa, and H. Nakanishi, Unique Luminescence Properties of Eu3+-Doped Polyimide, J.
Photochem. Photobiol. Chem. 2006, 183, 280.
4. H. Kasai, H. S. Nalwa, H. Oikawa, S. Okada, H. Matsuda, N. Minami, A. Kakuta, K. Ono, A. Mukoh, and H. Nakanishi, A
Novel Preparation Method of Organic Microcrystals, Jpn. J. Appl. Phys. 1992, 31, L1132.
5. Y. Komai, H. Kasai, H. Hirakoso, Y. Hakuta, S. Okada, H. Oikawa, T. Adschiri, H. Inomata, K. Arai, and H. Nakanishi,
Size and Form Control of Titanylphthalocyanine Microcrystals by Supercritical Fluid Crystallization Method, Mol. Cryst.
Liq. Cryst. Sci. Technol. Sect. Mol. Cryst. Liq. Cryst. 1998, 322, 167.
6. D. E. Milovzorov, Nonlinear Optoelectronic Devices Based On Nanocrystalline Silicon Films Acoustoelectrical Switches
For Optical Modes, Nonliear Optical Switches and Lasers (IntechOpen, S.l., 2011).
7. K. Baba, H. Kasai, S. Okada, H. Oikawa, and H. Nakanishi, Novel Fabrication Process of Organic Microcrystals Using
Microwave-Irradiation, Jpn. J. Appl. Phys. 2000, 39, L1256.
8. I. Weissbuch, M. Lahav, and L. Leiserowitz, Toward Stereochemical Control, Monitoring, and Understanding of Crystal
Nucleation, Cryst. Growth Des. 2003, 3, 125.
9. D. Gebauer and H. Cölfen, Prenucleation Clusters and Non-Classical Nucleation, Nano Today 2011, 6, 564.
10. D. Gebauer, M. Kellermeier, J. D. Gale, L. Bergström, and H. Cölfen, Pre-Nucleation Clusters as Solute Precursors in
Crystallisation, Chem Soc Rev 2014, 43, 2348.
11. J. Merz et al., Synthesis, Photophysical and Electronic Properties of Tetra-Donor- or Acceptor-Substituted Ortho -Perylenes
Displaying Four Reversible Oxidations or Reductions, Chem. Sci. 2019, 10, 7516.
12. Š. Vyskočil et al., 2,8′-Disubstituted-1,1′-Binaphthyls: A New Pattern in Chiral Ligands, Chem. - Eur. J. 2002, 8, 4633.
13. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Second edition (Oxford University Press, Oxford, United
Kingdom, 2017).
14. A. C. T. van Duin, S. Dasgupta, F. Lorant, and W. A. Goddard, ReaxFF: A Reactive Force Field for Hydrocarbons, J. Phys.
Chem. A 2001, 105, 9396.
15. W. Zhang and A. C. T. van Duin, Improvement of the ReaxFF Description for Functionalized Hydrocarbon/Water Weak
Interactions in the Condensed Phase, J. Phys. Chem. B 2018, 122, 4083.
16. S. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comput. Phys. 1995, 117, 1.
17. S. Nosé, A Molecular Dynamics Method for Simulations in the Canonical Ensemble, Mol. Phys. 1984, 52, 255.
18. N. T. K. Thanh, N. Maclean, and S. Mahiddine, Mechanisms of Nucleation and Growth of Nanoparticles in Solution,
Chem. Rev. 2014, 114, 7610.
19. U. Khalilov, M. Yusupov, A. Tojiboev, P. Nematollahi, D. Husanova, and S. Mirzaev, Growth Onset of Perylene-Based
Nanocrystals, «Узбекский Физический Журнал» 2021, 23, 7.
20. Z.-F. Yao, J.-Y. Wang, and J. Pei, Control of π–π Stacking via Crystal Engineering in Organic Conjugated Small Molecule
Crystals, Cryst. Growth Des. 2018, 18, 7.
21. P. G. Vekilov, Nucleation, Cryst. Growth Des. 2010, 10, 5007.
22. M. Yusupov, E. C. Neyts, P. Simon, G. Berdiyorov, R. Snoeckx, A. C. T. van Duin, and A. Bogaerts, Reactive Molecular
Dynamics Simulations of Oxygen Species in a Liquid Water Layer of Interest for Plasma Medicine, J. Phys. Appl. Phys.
2014, 47, 025205.
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