In carbon nanotube films, the alignment of carbon nanotubes creates Lennard-Jones potentials at intertube junctions and trapped O2 appears to oscillate at elevated temperatures. Electrical measurements reveal a low hopping barrier along the transverse direction and an underlying mechanism that involves intercalated molecules acting as charge carriers between tubes. Ab initio calculations support dynamic intercalation and charge transfer through O2 bouncing between tubes.
Keywords: Mulliken charge density; ab initio calculations; carbon nanotubes; exponential functions; physisorption.
© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.