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.
- Received 9 October 2001
DOI:https://doi.org/10.1103/PhysRevB.65.041402
©2001 American Physical Society