Discrete-breather-assisted charge transport along DNA-like molecular wires.

Abstract

Mobile discrete breathers (MDBs) are here suggested as localized excitations underlying the trapping and transport of charged particles (electron or hole) along a DNA-like molecular wire with anchored ends such as attached to two electrodes. For illustration the Peyrard-Bishop-Dauxois-Holstein (PBDH) model is used. MDBs are excited by imposing appropriate disturbances to velocities or space positions of adjacent nucleotide pairs or lattice units of the wire. They can be directed either towards or away from the wire hence transverse to it. Numerical computer simulations show that a rather stable quasiparticle MDB + electron is possible when just a few of the nucleotide pairs near one of the fixed ends of the wire are excited. For the process to be effective, the charge, e.g., the electron, must be initially placed around the disturbed region of the molecule. Once the MDB + electron quasiparticle is formed it may be transported to quite a long distance up to ca. 60-70 nm in real space. Our findings show that such process does not demand intervention of an externally applied electric field and hence it may be considered as alternative to the polaron transport process.