Abstract
Oligoynes are prototype molecular wires due to their conjugated system and the coherent tunneling transport, which aids this type of wires to transfer charges over long distances. The electric and thermoelectric characteristics for a series of Oligoyne molecular wires ((n) 3, 5, 7 and 9) are studied to explore the fundamental transport mechanisms for electrons crossing through single molecules, we probed both the electrical conductance and Seebeck coefficient for Au|molecule|Au configurations using the density functional theory (DFT). Our results not only confirmed the expected exponential decrease of conductance with the number n of triple bonds, according to the formula G n = A e −β n , but also demonstrated that the linear increase in the Seebeck coefficient S n with the number of triple bonds.
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.
