Abstract
The experimental variation in conductance that can be expected through dynamically evolving Au-molecule-Au junctions is approximated using molecular dynamics to model thermal fluctuations and a nonequilibrium Green's function code (Hückel-IV 2.0) to calculate the charge transport. This generates a statistical set of conductance data that can be used to compare directly with experimental results. Experimental measurements on Au-single molecule junctions show a large variation in conductance values between different identically prepared junctions. Our computational results indicate that the Au-Au and the Au-molecule fluctuations provide extensive geometric freedom and an associated broad distribution in calculated conductance values. Our results show agreement with experimental measurements of the low bias voltage conductance and conductance distribution for both thiol-Au and amine-Au linker structures. -
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.
