Electronic interwall interactions and charge redistribution in multiwall nanotubes - art. no. 041402

摘要

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 pi 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. [References: 27]