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

Martin Konôpka (), Robert Turanský (), Nikos L. Doltsinis (), Dominik Marx () and Ivan Štich ()
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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
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

A chapter in High Performance Computing in Science and Engineering '08, 2009, pp 95-108 from Springer

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.

Date: 2009
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-88303-6_8

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DOI: 10.1007/978-3-540-88303-6_8

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