摘要

Narrow zigzag graphene nanoribbons (ZGNRs) are used to construct two kinds of simple pyridine-based nano-devices, whose distinctive non-equilibrium electron transport properties are theoretically and thoroughly researched. Results show that the conjugated devices exhibit robust negative differential resistance (NDR) behavior and higher current, while the device based on a saturated bridge displays slight rectifying behavior and multistage NDR behavior, which can be used to build multi-functional devices and manifests its extensive potential applications. Analyses of the physical mechanisms for the devices are given. Remarkably, these pyridine-based devices possess two different transformations of transmission peaks and further there are two different explanations for the inner mechanisms of their NDR effects. We also present the effect of the width of the ZGNR electrodes on transport properties. Our findings provide valuable guidance for the design of new excellent organic-functional devices and raise the prospect of narrow ZGNR electrodes and pyridine-linked molecules for application in molecular electronics.