title: The finite-size effect on the transport properties in edge-modified graphene nanoribbon-based molecular devices.
abstract: The size-dependence on the electronic and transport properties of the molecular devices of the edge-modified graphene nanoribbon (GNR) slices is investigated using density-functional theory and Green's function theory. Two edge-modifying functional group pairs are considered. Energy gap is found in all the GNR slices. The gap shows an exponential decrease with increasing the slice size of two vertical orientations in the two edge terminated cases, respectively. The tunneling probability and the number of conducting channel decreases with increasing the GNR-slices size in the junctions. The results indicate that the acceptor-donor pair edge modulation can improve the quantum conductance and decrease the finite-size effect on the transmission capability of the GNR slice-based molecular devices.
authors.affiliation: National Laboratory of Infrared Physics, Shanghai Institute for Technical Physics, Chinese Academy of Sciences, Yu Tian Road 500, Shanghai 200083, China.
authors.forename: Zongling
authors.initials: Z
authors.lastname: Ding
authors.forename: Jun
authors.initials: J
authors.lastname: Jiang
authors.forename: Huaizhong
authors.initials: H
authors.lastname: Xing
authors.forename: Haibo
authors.initials: H
authors.lastname: Shu
authors.forename: Yan
authors.initials: Y
authors.lastname: Huang
authors.forename: Xiaoshuang
authors.initials: X
authors.lastname: Chen
authors.forename: Wei
authors.initials: W
authors.lastname: Lu