Abstract
We show by first-principles density functional calculations that the adsorption of potassium on the platinum electrodes of a benzene dithiolate molecular wire junction will modify the energy-level alignments of the device. But near the Fermi energy, the energy levels, which correspond to sulfur orbitals, are quite inert to the work function change of the electrode due to a strong terminal atom/metal bonding. Our results demonstrate unambiguously that while the coadsorption of potassium on the electrodes may influence the conductance of a molecular device, it cannot change the conductance in a drastic way as the transmission peak near the Fermi level shifts only slightly with the introduction of potassium atoms.
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.
