Abstract
By applying nonequilibrium Green’s function formalism combined first-principles density functional theory, we investigate the electronic transport properties of 3,3′,5,5′-Tetra-tert-butyl-azobenzene(meta-TBA) optical molecular switch. This molecular switch comprises a meta-TBA molecule with the trans and cis forms, which can be reversed from one structure to another one upon photoexcitation. The influence of HOMO-LUMO gaps and the spatial distributions of molecular orbitals on the electronic transport through the molecular device are discussed in detail. Theoretical results show that there is a large current ratio in bias window, which suggests that this system can be one of good candidates for optical switches due to this unique advantage, and have real applications in the molecular circuit.
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.
