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

Literature Information

Publication Date 2010-09-15
DOI 10.1039/C0CP00588F
Impact Factor 3.676
Authors

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


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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.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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