Theoretical Study of I-V Characteristics of Adenine Molecular Wire with Fluorine Impurity

In this paper, we report results of theoretical studies of Fluorine attached Adenine based molecular wires. Weuse density functional theory (DFT) and Landauer formalism to investigate differences in transmission coefficients andcurrent due to interactions between the Fluorine and Adenine molecules. We find that Fluorine attachment producessignificant differences in both transmission and Current-Voltage (I-V) curves. The higher current intensity of fluorineattached- than bare- Adenine suggests Adenine based molecular system is a potential candidate for nanostructured gassensor.

Keywords:

Molecular Wire , Adenine , Fluorine , Density Functional Theory