Electronic interwall interactions and charge redistribution in multiwall nanotubes

Abstract

Using density functional theory, we calculate the charge redistribution incurred upon forming multiwall carbon nanotubes, or by sandwiching initially isolated single-wall nanotubes between graphene layers. In these systems, we observe a significant charge transfer between the π electron system of the tube walls and a newly formed interlayer state. We discuss the direction of charge flow in terms of the interlayer hybridization and work function differences in the composite systems.