Tuning of Bandstructure of Single—Walled Carbon Nanotube Functionalized with ssDNA Oligonucleotide Sequence

In the present work, a bare (6,0) single-walled carbon nanotube (SWCNT)is chosen to be surface functionalized with a single-stranded DNA (ssDNA)oligomer in order to facilitate a transition in the intrinsic electronic property of the former entity i.e. shift from a metallic to semiconducting nature. The coupled system has been designed with the help of ATK-VNL simulation tool. Induction of a bandgap in SWCNT on account of ssDNA functionalization is observed. The bandgap value is obtained to be 0.016 eV, Transmission spectra and Eigenstate analyses support relevant changes in the bandstructure. I-V characteristic plots also elucidate the semiconducting behaviour of the SWCNT-ssDNA hybrid model. This study could be helpful for opening newer avenues for designing Nano Electromechanical Systems (NEMS)for biomedical and healthcare applications.