NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2020, 11 (2), P. 176–182
Electronic transport in penta-graphene nanoribbon devices using carbon nanotube electrodes: A computational study
M. Shunaid Parvaiz – Department of Physics, S. P. College Campus, Cluster University; Department of Physics, University of Kashmir, Srinagar, J&K-190006, India
Khurshed A. Shah – Department of Physics, S. P. College Campus, Cluster University, Srinagar, J&K-190001, India; firstname.lastname@example.org
G. N. Dar – Department of Physics, University of Kashmir, Srinagar, J&K-190006, India
Sugata Chowdhury – Department of Physics and Astronomy, Howard University, Washington, DC 20059, USA
Olasunbo Farinre – Department of Physics and Astronomy, Howard University, Washington, DC 20059, USA
Prabhakar Misra – Department of Physics and Astronomy, Howard University, Washington, DC 20059, USA
Electronic transport properties of pristine, homogenously and heterogeneously boron-nitrogen doped saw-tooth penta-graphene nanoribbon (SPGNR) with carbon nanotube electrodes have been studied using Extended Huckel Theory in combination with the non-equilibrium Green’s function formalism. CNT electrodes produce a remarkable increase in current at higher bias voltages in pristine SPGNR. The current intensity is maximum at higher bias voltages, while the nitrogen-doped model shows current from the onset of the bias voltage. However, there are also considerable differences in the I-V curves associated with the pristine model and other models doped homogenously as well as heterogeneously with boron and nitrogen. The doped models also exhibit a small negative differential resistance effect, with much prominence in the nitrogen-doped model. In summary, our findings show clearly that doping can effectively modulate the electronic and the transport properties of penta-graphene nanoribbons that have not been studied and reported thus far.
Keywords: Penta-graphene nanoribbon, CNT, NEGF, EHT, Doping, ATK.