Abstract
We present electron transmission studies on a pseudopeptide fragment (P) linking two (10,0) semi-infinite carbon nanotubes (CNTs). Calculations are performed using the non-equilibrium Green function formalism (NEGF) implemented within the tight-binding molecular dynamics density functional theory code FIREBALL. Results are compared with the transmission for an ideal (10,0) infinite CNT and a hydrogen passivated CNT-pseudopeptide-CNT (CNT–P–CNT) structure. The transmission spectrum indicates that the pseudopeptide fragment acts as a good bridge for hole transfer and strongly suppresses electron transfer.
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