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DFT studies of graphene-functionalized chitosan and its properties

Publish place: National Conference on Nanotechnology and Green Chemistry
Publish Year: 1391
Type: Conference paper
Language: English
View: 1,539

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Link to this Paper:
https://civilica.com/doc/203282

Document National Code:

IAUET01_012

Index date: 30 June 2013

DFT studies of graphene-functionalized chitosan and its properties abstract

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.

DFT studies of graphene-functionalized chitosan and its properties Keywords:

Graphene , Chitosan , Isotropic chemical shielding , DFT

DFT studies of graphene-functionalized chitosan and its properties authors

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