Computational and Theoretical Chemistry, ( ISI ), Volume (1103), Year (2017-1) , Pages (32-37)
Title : ( Interaction of nucleobases with silicene nanoribbon: A density functional approach )
Authors: Sara Alesheikh , Nasser Shahtahmassebi , Mahmood Rezaee Roknabadi , Raheleh Pilevar Shahri ,
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Abstract
Silicene, a hexagonal buckled 2D allotrope of silicon, shows potential for numerous new applications, and may allow for easier integration with existing silicon-based microelectronics than graphene. The possibility of the application of silicene as a biosensor is discussed. The interaction between a hydrogenpassivated zigzag silicene nanoribbon (ZSiNR) and the nucleic acid bases, adenine (A), guanine (G), cytosine (C) and thymine (T), is investigated by density functional theory. The binding energy of the nucleobase-stacked nanoribbons shows the following order: G > C > A > T.
