Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility
Organic semiconductors find a wide range of applications, such as in organic light emitting diodes, organic solar cells, and organic field effect transistors. One of their most striking disadvantages in comparison to crystalline inorganic semiconductors is their low charge‐carrier mobility, which ma...
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Published in | Advanced materials (Weinheim) Vol. 29; no. 43 |
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Main Authors | , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Germany
Wiley Subscription Services, Inc
01.11.2017
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Subjects | |
Online Access | Get full text |
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Summary: | Organic semiconductors find a wide range of applications, such as in organic light emitting diodes, organic solar cells, and organic field effect transistors. One of their most striking disadvantages in comparison to crystalline inorganic semiconductors is their low charge‐carrier mobility, which manifests itself in major device constraints such as limited photoactive layer thicknesses. Trial‐and‐error attempts to increase charge‐carrier mobility are impeded by the complex interplay of the molecular and electronic structure of the material with its morphology. Here, the viability of a multiscale simulation approach to rationally design materials with improved electron mobility is demonstrated. Starting from one of the most widely used electron conducting materials (Alq3), novel organic semiconductors with tailored electronic properties are designed for which an improvement of the electron mobility by three orders of magnitude is predicted and experimentally confirmed.
The viability of a multiscale simulation approach to rationally design organic semiconductors with improved electron mobility is demonstrated. Novel materials with tailored electronic properties are designed for which an improvement of the electron mobility by three orders of magnitude is predicted and experimentally confirmed. |
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Bibliography: | Present address: Palacký University Olomouc, Krˇížkovského 8, 771 47 Olomouc, Czech Republic Present address: MIXER Spa, Via Chiara 6/C, 48012 Villa Prati di Bagnacavallo, Italy ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0935-9648 1521-4095 |
DOI: | 10.1002/adma.201703505 |