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Simultaneous Extraction of Density of States Width, Carrier Mobility and Injection Barriers in Organic Semiconductors

Africa, Pasquale Claudio
•
de Falco, Carlo
•
Maddalena, Francesco
altro
Natali, Dario Andrea Nicola
2017
  • journal article

Periodico
SCIENTIFIC REPORTS
Abstract
The predictive accuracy of state-of-the-art continuum models for charge transport in organic semiconductors is highly dependent on the accurate tuning of a set of parameters whose values cannot be effectively estimated either by direct measurements or by first principles. Fitting the complete set of model parameters at once to experimental data requires to set up extremely complex multi-objective optimization problems whose solution is, on the one hand, overwhelmingly computationally expensive and, on the other, it provides no guarantee of the physical soundness of the value obtained for each individual parameter. In the present study we present a step-by-step procedure that enables to determine the most relevant model parameters, namely the density of states width, the carrier mobility and the injection barrier height, by fitting experimental data from a sequence of relatively simple and inexpensive measurements to suitably devised numerical simulations. At each step of the proposed procedure only one parameter value is sought for, thus highly simplifying the numerical fitting and enhancing its robustness, reliability and accuracy. As a case study we consider a prototypical n-type organic polymer. A very satisfactory fitting of experimental measurements is obtained, and physically meaningful values for the aforementioned parameters are extracted.
DOI
10.1038/s41598-017-03882-8
WOS
WOS:000403650300046
Archivio
https://hdl.handle.net/20.500.11767/135353
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85021091147
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85021091147&doi=10.1038/s41598-017-03882-8&partnerID=40&md5=d96a465ed559799251c1c7452fddad89
https://ricerca.unityfvg.it/handle/20.500.11767/135353
Diritti
open access
Soggetti
  • Settore MAT/08 - Anal...

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