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

عنوان مقاله: Investigation of Adsorption Enthalpy of Prolin on the Surface of Graphene with and without Si: A DFT Study
شناسه ملی مقاله: JR_IJNC-2-3_001
منتشر شده در شماره ۳ دوره ۲ فصل Autumn در سال 1394
مشخصات نویسندگان مقاله:

Mohamad Kiya Karimi Raja - Young Researchers and Elite Clube, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran
Roya Ahmadi - Young Researchers and Elite Clube, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran

خلاصه مقاله:
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).

کلمات کلیدی:
Prolin, Graphene, Silicon, adsorption enthalpy

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/792633/