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Issue 42, 2010
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Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means

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Abstract

Optical, purely mechanical, and combined opto-mechanical switching cycles of a molecular switch embedded in a metal junction are investigated using density functional theory and (excited state) ab initio molecular dynamics. The nanomechanical simulations are done on realistic models of gold electrode tips bridged by a single dithioazobenzene molecule. Comparison of different tip models shows that the nature of the tips affects switching processes both qualitatively and quantitatively. The study predicts that purely photochemical cis trans switching cycles of suspended azobenzene bridges are mechanically hindered; combined opto-mechanical as well as purely mechanochemical forward and backward switching is, however, feasible.

Graphical abstract: Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means

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Publication details

The article was received on 17 May 2010, accepted on 16 Jul 2010 and first published on 15 Sep 2010


Article type: Paper
DOI: 10.1039/C0CP00588F
Phys. Chem. Chem. Phys., 2010,12, 13922-13932

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    Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means

    R. Turanský, M. Konôpka, N. L. Doltsinis, I. Štich and D. Marx, Phys. Chem. Chem. Phys., 2010, 12, 13922
    DOI: 10.1039/C0CP00588F

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