DFT studies of graphene-functionalized chitosan and its properties
عنوان مقاله: DFT studies of graphene-functionalized chitosan and its properties
شناسه ملی مقاله: IAUET01_012
منتشر شده در همایش ملی نانو فناوری و شیمی سبز در سال 1391
شناسه ملی مقاله: IAUET01_012
منتشر شده در همایش ملی نانو فناوری و شیمی سبز در سال 1391
مشخصات نویسندگان مقاله:
Ali Mokhtari - Department of Nanotechnology, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran
Mahmoud Mirzaei - Department of Nanotechnology, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran
خلاصه مقاله:
Ali Mokhtari - Department of Nanotechnology, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran
Mahmoud Mirzaei - Department of Nanotechnology, Pharmaceutical Sciences Branch, Islamic Azad University, Tehran, Iran
Electronic and structural properties of chitosan during functionalization by graphene were studied by density functional theory (DFT) calculations. Isolated and functionalized chitosans were optimized and their properties were evaluated. The results indicated that the properties of linking sites detect the most significant effects of functionalization process.
کلمات کلیدی: Graphene; Chitosan; Isotropic chemical shielding; DFT
صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/203282/