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Electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants

Author:
Zhao, Peng, Liu, DeSheng
Source:
Chinese science bulletin 2012 v.57 no.17 pp. 2073-2077
ISSN:
1001-6538
Subject:
carbon, electricity, electrodes, nanotubes
Abstract:
By applying non-equilibrium Green’s function in combination with density functional theory, we investigated the electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants. The results show that the electronic transport properties are strongly dependent on the numbers and positions of N and B dopants. Best rectifying behavior is observed in the case with one N and one B dopants, and it is deteriorated strongly with the increasing dopants. The rectifying direction is even reversed with the change of doping positions. Moreover, obvious negative differential resistance behavior at very low bias is observed in some doping cases.
Agid:
372514