EKZOEDRAL FULLERENLAR C60+Fe NING TEMIR SIRTIDA CHUKISHI JARAYONLARINI MOLEKULAR DINAMIKA USULLAR ASOSIDA O’RGANISH
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Mazkur maqolada molekulyar dinamika usullari yordamida fulleren C60+Fe ning ekzoedral molekulalarini temir yuzasiga cho’ktirish jarayonlari ko’rib chiqiladi. Ma'lum sharoitlarda ekzoedral atomdan fullerenning "tozalanishi" yoki ekzoedral fullerenning endohedralga aylanishi kuzatilishi mumkinligi ko'rsatilgan
1. Domene M C, Fowler P W, Mitchell D, Seifert G, Zerbetto F. Energetics of C20 and C22 fullerene and near-fullerene carbon cages. J Phys Chem A, 1997, 101: 8339–8344 DOI: 10.1021/jp971324l
2. R.R. Zope, T. Baruah, M.R. Pederson, B.I. Dunlap Electronic structure, ibrational stability, infra-red, and Raman spectra of B24N24 cages, Chem. Phys. Lett. v. 393 (2004) pp. 300-304. DOI:10.1016/j.cplett.2004.06.047
3. M. Machado, P. Piquini, R. Mota, Charge distributions in BN nanocones: electric field and tip termination effects Chem. Phys. Lett. 392 (2004) 428-432. https://doi.org/10.1016/j.cplett.2004.05.088
4. H. Kroto, J. Heath, S. O’Brien, and R. Smalley, C60: Buckminsterfullerene Nature (London) 318, 162 (1985). https://doi.org/10.1038/318162a0
5. J.M. Hawkins, A.Meyer, T.A. Lewis, S.Loren and F.J. Hollander, Crystal Structure of Osmylated C60: Confirmation of the Soccer Ball Framework Sciens, 252 (1991) p.312-318. https://doi.org/10.1126/science.252.5003.312 6. Н.П. Евлампиева и др., Полимерные комплексы эндофуллерена Fe@C60 биомедицинского назначения. Весник СПбГУ. Физика и химия 2018, т.5 (63), Вып.3 стр.86-96.
7. Rubén E. Estrada-Salas, Ariel A. Valladares. DFT calculations of the structure and electronic properties of late 3d transition metal atoms endohedrally doping C60 2008, Journal of Molecular Structure: THEOCHEM, V.869, Issues 1-3, pp.1-5, https://doi.org/10.1016/j.theochem.2008.08.017 8. M. Popławska, P. Byszewski, E. Kowalska, R Diduszko, J Radomska. 9. Preparation and structure of ferrocene derivative C60 adduct. Synthetic Metals, 2000, 109(1-3) pp. 239-244, https://doi.org/10.1016/S0379-6779(99)00226-X
10. Exploring the surface reactivity of 3d metal endofullerenes: A density-functional theory study. The Journal of Physical Chemistry A 2009, A 113(38) pp. 299-305, https://doi.org/10.1021/jp9029979
11. G. A. Domrachev, A. I. Lazarev e.tal, The role of carbon and metal in self-assembly of the iron-carbon system at various component ratios. Physics of the Solid State, 2004, v.46, pp. 1969-1983. DOI:10.1134/1.1809440
12. P. Byszewski, K. Antonova, E. Kowalska, J. Radomska, J. Baran Molecular modeling of C60:cobaltocene and nickelocene complexes, comparison with IR absorption, Chemistry, Physics Letters, v.323, 2000, Pages 522-528, https://doi.org/10.1016/S0009-2614(00)00545-5
13. K. O.E. Henriksson, C. Björkas, and K. Nordlund (2013), "Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system", Journal of Physics: Condensed Matter, 25(44), 445401. DOI: 10.1088/0953-8984/25/44/445401
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