Abstract
AbstractWe explore the role of charge localization in current‐triggered, resonance‐mediated, dynamical events in molecular junctions. To that end we use a simple model for a molecular rattle, a Li+C9H−9 zwitterion attached between two metal clusters. By varying the size of the metal clusters we systematically vary the degree of delocalization of the electronic orbitals underlying the resonant current, and thus can draw general conclusions regarding the effect of delocalization on dynamical processes induced by resonance inelastic current in molecular electronics.In the small cluster limit, we find interesting quantum dynamics in the nuclear subspace, corresponding to coherent tunneling of the wave packet through the barrier of an asymmetric double‐well potential. These dynamics are rapidly damped with increasing charge delocalization in extended systems.
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.
