Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study

Document Type: Research Paper

Authors

Young Researchers and Elite Clube, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran

Abstract

The project is comparing three types of calculation derived graphene. To evaluate the effect of silicon element to Thermochemistry parameters of absorption of prolin in these derivatives. These derivatives of graphene carbon prolin connection made, the difference is only the position of prolin  (named GPC1 , GPC2 , GPC3). But in other Derivations first put silicon instead of carbon position, then is added to the silicon(named GPSi1 , GPSi2 , GPSi3).

Keywords


1. R. Soleymani, S. Farsi-Madan, K. Ghesmat Konandeh, Oriental Journal of Chemistry, 28 (2012) 703.
2. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S.V.Dobonos, Science, 306 (2004) 666.
3. M. Terrones, A. Botello-Mendez, J. Campos-Delgado, F. Lopes-Urias, Nano Today, 5 (2010) 351.
4. R. S. Ram et al. "Fourier Transform Emission Spectroscopy of the A2D–X2P Transition of SiH and SiD, J. Mol. Spectr. 190 (1998) 341.
5. E. Fereyduni, M. Kamaee, R. Soleymani, R. Ahmadi, Journal of Theoretical and Computational Chemistry 11 (2012) 1331.
6. R. Ahmadi, R. Soleymani, T. Yousofzad, Oriental Journal of Chemistry, 28 (2012) 773.