Length and end group dependence of the electronic transport properties in carbon atomic molecular wires.
Carrying out theoretical calculations using the nonequilibrium Green's function method combined with the density functional theory, the transport properties of functionalized atomic chains of carbon atoms with different lengths are investigated. The results show that the I-V evolution and rectifying performance can be affected by the length of wire when both ends of it is capped with the benzene-thiol attached with an amino group and the pyridine attached with nitro group. But when capped with the benzene-thiol attached with an amino group and the nitro group, we can observe a surprised result that different systems show similar I-V characteristics and their transport properties are almost independent of molecular length, which suggests that this is a favorable way to design more ideal molecular interconnecting wires with a high length-independent conductance behavior.
Deng
Xiaoqing
X
Central South University, Changsha 410083, People's Republic of China.
Zhang
Zhenhua
Z
Zhou
Jicheng
J
Qiu
Ming
M
Tang
Guiping
G