@article{0cb14748c8754835b395c22542c7425b,
title = "Analysis of External and Internal Disorder to Understand Band-Like Transport in n-Type Organic Semiconductors",
abstract = "Charge transport in organic semiconductors is notoriously extremely sensitive to the presence of disorder, both internal and external (i.e., related to interactions with the dielectric layer), especially for n-type materials. Internal dynamic disorder stems from large thermal fluctuations both in intermolecular transfer integrals and (molecular) site energies in weakly interacting van der Waals solids and sources transient localization of the charge carriers. The molecular vibrations that drive transient localization typically operate at low-frequency (−1), which makes it difficult to assess them experimentally. Hitherto, this has prevented the identification of clear molecular design rules to control and reduce dynamic disorder. In addition, the disorder can also be external, being controlled by the gate insulator dielectric properties. Here a comprehensive study of charge transport in two closely related n-type molecular organic semiconductors using a combination of temperature-dependent inelastic neutron scattering and photoelectron spectroscopy corroborated by electrical measurements, theory, and simulations is reported. Unambiguous evidence that ad hoc molecular design enables the electron charge carriers to be freed from both internal and external disorder to ultimately reach band-like electron transport is provided.",
keywords = "charge transport, disorder, field-effect transistors, organic semiconductors, phonons",
author = "Stoeckel, {Marc Antoine} and Yoann Olivier and Marco Gobbi and Dmytro Dudenko and Vincent Lemaur and Mohamed Zbiri and Guilbert, {Anne A.Y.} and Gabriele D'Avino and Fabiola Liscio and Andrea Migliori and Luca Ortolani and Nicola Demitri and Xin Jin and Jeong, {Young Gyun} and Andrea Liscio and Nardi, {Marco Vittorio} and Luca Pasquali and Luca Razzari and David Beljonne and Paolo Samor{\`i} and Emanuele Orgiu",
note = "Funding Information: E.O. and L.R. are supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) through individual Discovery Grants. E.O. is also supported by the Fonds de Recherche du Qu{\'e}bec – Nature et Technologies (FRQNT). The work in Strasbourg was financially supported by EC through the ERC project through the ERC project SUPRAFUNCTION (GA‐257305), the Marie Curie ITN projects BORGES (GA No. 813863) and UHMob (GA‐ 811284), the Labex projects CSC (ANR‐10‐LABX‐0026 CSC) and NIE (ANR‐11‐LABX‐0058 NIE) within the Investissement d'Avenir program ANR‐10‐IDEX‐0002‐02, and the International Center for Frontier Research in Chemistry (icFRC). The Institut Laue‐Langevin (ILL) facility, Grenoble, France, is acknowledged for providing beam time on the IN6 spectrometer. A.A.Y.G. acknowledges the Engineering and Physical Sciences Research Council (EPSRC) for the award of an EPSRC Postdoctoral Fellowship (EP/P00928X/1). The authors are particularly grateful to Dr. B. Cortese for her scientific assistance with the Scanning Probe Microscopy experiments, and to Dr. J. Raya and Dr. J. Wolf for recording the NMR data. The work in Mons was supported by the European Commission/R{\'e}gion Wallonne (FEDER – BIORGEL project), the Consortium des {\'E}quipements de Calcul Intensif (C{\'E}CI), funded by the Fonds National de la Recherche Scientifique (F.R.S.‐FNRS) under Grant No. 2.5020.11 as well as the Tier‐1 supercomputer of the F{\'e}d{\'e}ration Wallonie‐Bruxelles, infrastructure funded by the Walloon Region under Grant Agreement No. 1117545, and FRS‐FNRS. The research in Mons is also funded through the European Union Horizon 2020 research and innovation program under Grant Agreement No. 646176 (EXTMOS project). Publisher Copyright: {\textcopyright} 2021 Wiley-VCH GmbH",
year = "2021",
month = apr,
day = "1",
doi = "10.1002/adma.202007870",
language = "English",
volume = "33",
journal = "Advanced materials",
issn = "0935-9648",
publisher = "Wiley-VCH Verlag",
number = "13",
}