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Article Dans Une Revue Nano Letters Année : 2017

Estimation of π–π electronic couplings from current measurements

Thierry Martin
Olivier Alévêque
E. Levillain
Philippe Leclere

Résumé

The π–π interactions between organic molecules are among the most important parameters for optimizing the transport and optical properties of organic transistors, light-emitting diodes, and (bio-) molecular devices. Despite substantial theoretical progress, direct experimental measurement of the π–π electronic coupling energy parameter t has remained an old challenge due to molecular structural variability and the large number of parameters that affect the charge transport. Here, we propose a study of π–π interactions from electrochemical and current measurements on a large array of ferrocene-thiolated gold nanocrystals. We confirm the theoretical prediction that t can be assessed from a statistical analysis of current histograms. The extracted value of t ≈35 meV is in the expected range based on our density functional theory analysis. Furthermore, the t distribution is not necessarily Gaussian and could be used as an ultrasensitive technique to assess intermolecular distance fluctuation at the subangström level. The present work establishes a direct bridge between quantum chemistry, electrochemistry, organic electronics, and mesoscopic physics, all of which were used to discuss results and perspectives in a quantitative manner.
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Dates et versions

hal-01588172 , version 1 (23-04-2018)

Identifiants

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Jorge Trasobares, Jérôme Rech, Thibaut Jonckheere, Thierry Martin, Olivier Alévêque, et al.. Estimation of π–π electronic couplings from current measurements. Nano Letters, 2017, 17 (5), pp.3215. ⟨10.1021/acs.nanolett.7b00804⟩. ⟨hal-01588172⟩
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