期刊
PHYSICAL REVIEW B
卷 79, 期 19, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.195431
关键词
adsorption; carbon nanotubes; density functional theory; electric admittance; electrical conductivity; tunnelling
资金
- NABIIT and the Danish Center for Scientific Computing [HDW-1103-06]
- Lundbeck Foundation
- National Physical Laboratory (NPL)
- Engineering and Physical Sciences Research Council (EPSRC-GB)
We have performed experiments on single-wall carbon nanotube (SWNT) networks and compared with density-functional theory (DFT) calculations to identify the microscopic origin of the observed sensitivity of the network conductivity to physisorbed O-2 and N-2. Previous DFT calculations of the transmission function for isolated pristine SWNTs have found physisorbed molecules have little influence on their conductivity. However, by calculating the four-terminal transmission function of crossed SWNT junctions, we show that physisorbed O-2 and N-2 do affect the junction's conductance. This may be understood as an increase in tunneling probability due to hopping via molecular orbitals. We find the effect is substantially larger for O-2 than for N-2, and for semiconducting rather than metallic SWNTs junctions, in agreement with experiment.
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