  Topological line defects in graphene represent an ideal way to produce highly
controlled structures with reduced dimensionality that can be used in
electronic devices. In this work we propose using extended line defects in
graphene to improve nucleobase selectivity in nanopore-based DNA sequencing
devices. We use a combination of QM/MM and non-equilibrium Green's functions
methods to investigate the conductance modulation, fully accounting for solvent
effects. By sampling over a large number of different orientations generated
from molecular dynamics simulations, we theoretically demonstrate that
distinguishing between the four nucleobases using line defects in a
graphene-based electronic device appears possible. The changes in conductance
are associated with transport across specific molecular states near the Fermi
level and their coupling to the pore. Through the application of a specifically
tuned gate voltage, such a device would be able to discriminate the four types
of nucleobases more reliably than that of graphene sensors without topological
line defects.
