Calculation of Current-Voltage Characteristics for Small DNA Chains

This study explores the electronic transport characteristics of short deoxyribonucleic acid (DNA) chains, which have emerged as promising nanostructures for future bioelectronic applications. DNA, a molecule essential to the storage and transmission of genetic information in all known living organisms and many viruses, has attracted increasing interest in the field of molecular electronics due to its unique structural and conductive properties. In this research, the current–voltage (I–V) behavior of homogeneous nucleotide chains are analyzed using the Non-Equilibrium Green's Function (NEGF) formalism, a powerful quantum mechanical approach for studying charge transport in nanoscale systems under non-equilibrium conditions. The chains are modeled as linear sequences composed of identical nucleotides to isolate the intrinsic transport features. The applied bias voltage is systematically varied in the range of ۰ to ۴ volts to assess the electrical response of the system across both sub-gap and above-gap energy regimes. The simulation results reveal key insights into the conduction mechanisms within such molecular structures, which are highly sensitive to the applied voltage and molecular configuration. These findings contribute to a better understanding of DNA-based conductive behavior and may inform the design of future molecular-scale components in nanoelectronic circuits.

کلیدواژه ها:

DNA Conductivity ، NEGF ، Transport properties