Molecular interplay at the PMMA dielectric and C13-BTBT semiconductor interface

Gubanov K, Vivod D, Sauer C, Brzhezinskaya M, Zahn D, Fink R (2025)

Publication Type: Journal article

Publication year: 2025

Journal

Physical Chemistry Chemical Physics Royal Society of Chemistry

Book Volume: 27

Pages Range: 19546-19552

Journal Issue: 36

DOI: 10.1039/d5cp02629f

Abstract

A growing interest towards all-organic electronics emphasized the importance of interfaces between the functional components of such devices. In particular, the interaction between the dielectric and semiconductor plays a critical role in device functionality, with strong dependency of charge carrier accumulation and mobility on semiconductor molecular arrangement. We report on the beneficial adsorption conformation with a nearly upright standing molecular orientation of a 2-tridecyl-[1]benzothieno[3,2-b][1]benzothiophene (C13-BTBT) semiconductor monolayer deposited on Langmuir-Blodgett-prepared polymethyl methacrylate (PMMA) dielectric films. Such an alignment favors a smooth transfer of charge carriers due to the optimal orbital overlap between π-conjugated BTBT units. Atomistic insights into the C13-BTBT/PMMA system through molecular dynamics revealed an advantageous direct contact of the charge-transporting BTBT unit with PMMA, while the alkyl chain is pointing outwards. Compared to non-alkylated BTBT, we demonstrate a 43% lower stiffness for surface-exposed alkyl chains of a C13-BTBT monolayer, as determined by force-distance analysis, highlighting the advantage for flexible device applications. These insights open new perspectives for further engineering of advanced interfaces, paving the way for innovations in efficient carbon-based electronics.

Authors with CRIS profile

Kirill Gubanov Lehrstuhl für Physikalische Chemie II Dustin Vivod Professur für Theoretische Chemie Dirk Zahn Professur für Theoretische Chemie Rainer Fink Professur für Physikalische Chemie

Involved external institutions

Helmholtz-Zentrum Berlin für Materialien und Energie (HZB) DE Germany (DE)

How to cite

APA:

Gubanov, K., Vivod, D., Sauer, C., Brzhezinskaya, M., Zahn, D., & Fink, R. (2025). Molecular interplay at the PMMA dielectric and C13-BTBT semiconductor interface. Physical Chemistry Chemical Physics, 27(36), 19546-19552. https://doi.org/10.1039/d5cp02629f

MLA:

Gubanov, Kirill, et al. "Molecular interplay at the PMMA dielectric and C13-BTBT semiconductor interface." Physical Chemistry Chemical Physics 27.36 (2025): 19546-19552.

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