Interaction of nucleobases with silicon nanowires: A first-principles study
Document Type
Article
Publication Date
11-20-2012
Department
Department of Physics
Abstract
The interaction between the nucleic acid bases - adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U) - and a hydrogen-passivated silicon nanowire (SiNW) is investigated within the framework of density functional theory. The calculated binding energy of the nucleic acid bases with the SiNW shows the order: G > A≈C≈T≈U. This suggests that the interaction strength of a hydrogen passivated SiNW with the nucleic acid bases is nearly the same-G being an exception. The electronic structure of the nucleobase-SiNW complex is used to further characterize the nature of the interaction showing that it is likely electrostatic in nature.
Publication Title
Chemical Physics Letters
Recommended Citation
Zhong, X.,
Slough, W.,
Pandey, R.,
&
Friedrich, C.
(2012).
Interaction of nucleobases with silicon nanowires: A first-principles study.
Chemical Physics Letters,
553, 55-58.
http://doi.org/10.1016/j.cplett.2012.10.011
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/6260