Abstract
A molecular junction of an asymmetric molecule generally demonstrates an asymmetric current–voltage (I–V) curve, due to the unequal voltage drops at the two molecule–electrode contacts. However, for asymmetric S(CH2)nCH3 molecules, symmetric I–V curves are always obtained in the experimental measurements. Here, we investigate the electronic transport of the Au–S(CH2)7CH3–Au molecular junction in order to reveal the mechanism of the symmetric I–V curve with ATK package, in which the density functional theory is combined with Keldysh nonequilibrium Green's function method to calculate the electronic and transport properties of nanoscale systems. And the symmetric I–V curve can be interpreted by the curved surface model, which reproduces curved surface of the top electrode in the experiment.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
