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Azobenzene–Metal Junction as a Mechanically and Opto–Mechanically Driven Switch

In: High Performance Computing in Science and Engineering '08

Author

Listed:
  • Martin Konôpka

    (Slovak University of Technology (FEI STU), Center for Computational Materials Science, Department of Physics)

  • Robert Turanský

    (Slovak University of Technology (FEI STU), Center for Computational Materials Science, Department of Physics)

  • Nikos L. Doltsinis

    (Ruhr–Universität Bochum, Lehrstuhl für Theoretische Chemie
    King’s College London, Department of Physics)

  • Dominik Marx

    (Ruhr–Universität Bochum, Lehrstuhl für Theoretische Chemie)

  • Ivan Štich

    (Slovak University of Technology (FEI STU), Center for Computational Materials Science, Department of Physics
    Slovak Academy of Sciences, Institute of Physics)

Abstract

Summary Mechanically and opto–mechanically controlled azobenzene (AB) switch based on AB–metal break–junction have been studied using ab–initio simulations. It was found that both cis→trans and trans→cis mechanically driven switchings in the lowest singlet state are possible. Bidirectional optical switching of mechanically strained AB through first excited singlet state was also predicted provided that the length of the molecule is adjusted towards the target isomer equilibrium length.

Suggested Citation

  • Martin Konôpka & Robert Turanský & Nikos L. Doltsinis & Dominik Marx & Ivan Štich, 2009. "Azobenzene–Metal Junction as a Mechanically and Opto–Mechanically Driven Switch," Springer Books, in: Wolfgang E. Nagel & Dietmar B. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering '08, pages 95-108, Springer.
    • Handle: RePEc:spr:sprchp:978-3-540-88303-6_8
    DOI: 10.1007/978-3-540-88303-6_8
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