Suppression of dynamic disorder by electrostatic interactions in structurally close organic semiconductors

Literature Information

Publication Date 2021-06-17
DOI 10.1039/D1CP01599K
Impact Factor 3.676
Authors

Olga D. Parashchuk, Nikita V. Tukachev, Dmitry R. Maslennikov, Dmitry I. Dominskiy, Oleg V. Borshchev, Marina S. Polinskaya, Maxim S. Skorotetcky, Oleg G. Kharlanov, Dmitry Yu. Paraschuk


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Abstract

Dynamic disorder manifested in fluctuations of charge transfer integrals considerably hinders charge transport in high-mobility organic semiconductors. Accordingly, strategies for suppression of the dynamic disorder are highly desirable. In this study, we suggest a novel promising strategy for suppression of dynamic disorder—tuning the molecular electrostatic potential. Specifically, we show that the intensities of the low-frequency (LF) Raman spectra for crystalline organic semiconductors consisting of π-isoelectronic small molecules (i.e. bearing the same number of π electrons)—benzothieno[3,2-b][1]benzothiophene (BTBT), chrysene, tetrathienoacene (TTA) and naphtho[1,2-b:5,6-b′]dithiophene (NDT)—differ significantly, indicating significant differences in the dynamic disorder. This difference is explained by suppression of the dynamic disorder in chrysene and NDT because of stronger intermolecular electrostatic interactions. As a result, guidelines for the increase of the crystal rigidity for the rational design of high-mobility organic semiconductors are suggested.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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