Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F17%3A73586707" target="_blank" >RIV/61989592:15310/17:73586707 - isvavai.cz</a>

Result on the web

<a href="https://onlinelibrary.wiley.com/doi/epdf/10.1002/adma.201703505" target="_blank" >https://onlinelibrary.wiley.com/doi/epdf/10.1002/adma.201703505</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/adma.201703505" target="_blank" >10.1002/adma.201703505</a>

Result language

angličtina

Original language name

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

Original language description

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 (Alq(3)), 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.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

21001 - Nano-materials (production and properties)

Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Advanced Materials

ISSN

0935-9648

e-ISSN

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Volume of the periodical

29

Issue of the periodical within the volume

43

Country of publishing house

DE - GERMANY

Number of pages

7

Pages from-to

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UT code for WoS article

000415142100015

EID of the result in the Scopus database

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