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The Effect of Exchange and Correlation Potentials on Adsorption of Nicotine on Graphene: A DFT Study

โœ Scribed by Bakhshi, K.; Zadghaffari, R.; Garadaghi, M.; Khani, A.

Book ID
118738696
Publisher
Taylor and Francis Group
Year
2013
Tongue
English
Weight
427 KB
Volume
21
Category
Article
ISSN
1536-383X

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The electronic structures of a lithium ion (Li + ) doped-graphene at the ground and low-lying excited states have been investigated by means of density functional theory (DFT) method. A graphene composed of 19 benzene rings was used as a model of graphene, while the edge carbon atom was terminated b