title: Effect of length on the position of negative differential resistance and realization of multifunction in fused oligothiophenes based molecular device.
abstract: The length modulation of electron transport properties for molecular devices based on fused oligothiophenes has been investigated theoretically using a combination of non-equilibrium Green's functions and first-principles density functional theory. The results show that the lengths of the molecules have a distinct influence on the position of negative differential resistance (NDR) of the molecular devices. By exploring the effect on transmission properties of substituent groups, hexathieno[3,2-b:2',3'-d]thiophene with -NH2 and -NO2 substituents (model L) can be regard as a good candidate of multifunctional molecular device, which shows excellent rectifying performance (the largest rectification ration is 14.3 at 1.2 V) and clear NDR behavior (at 1.4 V).
authors: Faculty of Chemistry, Northeast Normal University, Changchun 130024, China.
authors: Jiaping
authors: J
authors: Fan
authors: Nahashon Ndegwa
authors: NN
authors: Gathitu
authors: Yingfei
authors: Y
authors: Chang
authors: Jingping
authors: J
authors: Zhang