Simulating the nanomechanical response of cyclooctatetraene molecules on a graphene device

ORAL

Abstract

We have investigated the atomic and electronic structures of cyclooctatetraene molecules on graphene and analyzed their dependence on external gate voltage using first-principles calculations. The external gate voltage is simulated by adding or removing electrons using density functional theory calculations. This allowed us to investigate how changes in carrier density modify the molecular shape, orientation, adsorption site, diffusion barrier, and diffusion path. The results of the calculation imply that the shape and mobility of the adsorbed molecules can be controlled by externally gating graphene devices.

*This work is supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) under contract no. DE-AC02-05CH11231 within the Nanomachine program, and by the National Science Foundation under Grant No. DMR-1508412.

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Presenters

  • Sehoon Oh

    • University of California, Berkeley
    • Department of Physics, University of California at Berkeley

Authors

  • Sehoon Oh

    • University of California, Berkeley
    • Department of Physics, University of California at Berkeley

  • Michael F Crommie

    • Physics, UC Berkeley
    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory and UC Berkeley
    • Department of Physics, University of California at Berkeley
    • Physics, University of California - Berkeley

  • Marvin L Cohen

    • Department of Physics, University of California at Berkeley
    • Physics, UC Berkeley
    • University of California, Berkeley