دانشگاه آزاد اسلامی واحد علوم و تحقیقات

 آمار

تعداد نشریات50
تعداد شماره‌ها2,212
تعداد مقالات20,305
تعداد مشاهده مقاله24,215,590
تعداد دریافت فایل اصل مقاله22,098,757
Keshavarz, Morteza. (1401). Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride. , 19(2), 1-9. doi: 10.30495/jptc.2022.65378.1231
Morteza Keshavarz. "Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride". , 19, 2, 1401, 1-9. doi: 10.30495/jptc.2022.65378.1231
Keshavarz, Morteza. (1401). 'Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride', , 19(2), pp. 1-9. doi: 10.30495/jptc.2022.65378.1231
Keshavarz, Morteza. Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride. , 1401; 19(2): 1-9. doi: 10.30495/jptc.2022.65378.1231

Investigation Adsorption Tyrosine on Surface Single Walled Aluminum –Nitride and Doped-Si Aluminum-Nitride

Journal of Physical & Theoretical Chemistry
دوره 19، شماره 2، شهریور 2022، صفحه 1-9  XML اصل مقاله (658.31 K)
نوع مقاله: Research Paper
شناسه دیجیتال (DOI): 10.30495/jptc.2022.65378.1231
نویسنده
Morteza Keshavarz email orcid
Department of Chemistry, Shahreza Branch, Islamic Azad University, Shahreza, Iran
چکیده
In this study, adsorption behavior of a tyrosine molecule on the external surface of Aluminum nitride Nanotubes and aluminum nitride which have seen with one silica atom by using Density Functional theory (DFT) has been studied. We can mention the optimized energy, NMR, NBO, changes in bond length from calculated parameters in this study in the gas phase and solvent phase. Bond energy shows that adsorption of the molecule on the aluminum nitride nanotube hybrid by silica atom is better than pure aluminum nitride nanotube and it can be proved, according to the results of NMR, NBO. The software used in this calculation, software Gauss view are Gaussian. According to results of a seen aluminum nitride nanotube with a silica atom that can be used in transferring of molecule tyrosine. Obtained energy for transferring tyrosine molecule is by aluminum nitride nanotube (-9554.0617 hartree) and energy for transferring tyrosine molecule is by a seen aluminum nitride nanotube with a silica atom (-9554.123 hartree).
کلیدواژه‌ها
Adsorption؛ Aluminum nitride Nanotubes؛ Tyrosine drug؛ Density functional theory
مراجع
  • Government of westen Australia, Nanotechnology, J.worksafe.5 (2011) 1-6.
  • A. Segal, Semiemprical Methods of Electronic Structure Calcalations. 44 (2009)101-104.
  • Kim, Y. Choi, S. M. Lee, J. T. Park, B. Kim,Y. H.Lee, The Effect if Gas Adsorption in the field Emission Mechanism of carbon Nanotubes, J. AM. Chem. SOC. 124 (2002) 9906-9911.
  • Kawai, Y. Miyamoto, Chirality-dependent C-C bond breaking of carbon nanotubes by cyclo-addition of oxygen molecule, Chem. Phys. Lett. 453 (2008) 256-261.
  • Beheshtian, M. Kamfiroozi, R. Bagheri, A. Ahmadi, Theoretical study of hydrogen adsorption on the B12P12 fullerene-like nanocluster, J.Comput Mater. Sci. 54 (2012) 115-118.
  • Y. Zhu, S. M. Lee, Y. H. Lee, T. Frauenheim, Adsorption and desorption of an O2 molecule on carbon nanotubes, J. Phys. Rev. Lett. 85 (2000) 27-57.
  • H. Jhi, S. G. Louie, M. L. Cohen, Electronic Properties of Oxidized Carbon Nanotubes, J. Phys. Rev. Lett. 85 (2000) 1710.
  • Leon, F. Jalbout, A. Basiuk, A. Vladimir, SWNT–amino acid interactions: A theoretical study, J. Chem. Phys. Lett., 457 (2008) 185–190.
  • Giannozzi, R. Car, G. Scoles, Oxygen adsorption on graphite and nanotubes, J. Chem. Phys., 118 (2003) 1003-1006.
 

 

 

آمار
تعداد مشاهده مقاله: 14
تعداد دریافت فایل اصل مقاله: 7


سامانه مدیریت نشریات علمی. قدرت گرفته از سیناوب