Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 103: Transport: Poster Session

TT 103.15: Poster

Thursday, March 19, 2015, 15:00–18:00, Poster B

Switching a Molecular Junction using a Proton Transfer Reaction — •Chriszandro Hofmeister, Pedro B. Coto, and Michael Thoss — Institut für Theoretische Physik und Interdisziplinäres Zentrum für Molekulare Materialien (ICMM), Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen, Germany

The possibility of utilizing single molecules as switches in electronic circuits has motivated intensive experimental and theoretical research on bistable molecular systems [1]. In this contribution, we present a theoretical model for the switching of a molecular junction based on a ground state proton transfer reaction triggered by an external electrostatic field [2,3]. The dynamics of the proton translocation and the electron transport across the junction is described within the framework of quantum master equations. The results show that the proton transfer induces a significant change in the current for low bias voltages. The underlying mechanisms are analyzed in some detail.

[1] S.J. van der Molen et al.,

J. Phys.: Condens. Matter 22, 133001 (2010)

[2] A.L. Sobolewski, Phys. Chem. Chem. Phys. 10, 1243 (2008)

[3] C. Hofmeister et al., J. Mol. Model. 20, 1 (2014)