Development and application of field-based multiscale modeling techniques for optimizing the performance of polymer nanodevices

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urn:nbn:de:bvb:355-epub-300749 Copy

Donets, Sergii

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Date of publication of this fulltext: 28 May 2015 09:28

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Details

Item type:	Thesis of the University of Regensburg (PhD)
Date:	28 May 2015
Referee:	PD Dr. Stephan Bäurle
Date of exam:	27 May 2014
Institutions:	Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle
Keywords:	energy transport, charge transport, polymer solar cells
Dewey Decimal Classification:	500 Science > 540 Chemistry & allied sciences
Status:	Published
Refereed:	Yes, this version has been refereed
Created at the University of Regensburg:	Yes
Item ID:	30074

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Abstract (English)

The goal of this thesis was to develop and apply field-based multiscale modeling techniques, to better understand and improve the performance of polymer-based nanodevices, used in optoelectronic applications. For this purpose, we used the SCFT technique, to compute the polymeric morphologies, in combination with a suitable DMC algorithm, to simulate the photovoltaic processes. The application of ...

Abstract (English)

The goal of this thesis was to develop and apply field-based multiscale modeling techniques, to better understand and improve the performance of polymer-based nanodevices, used in optoelectronic applications. For this purpose, we used the SCFT technique, to compute the polymeric morphologies, in combination with a suitable DMC algorithm, to simulate the photovoltaic processes. The application of this coupled multiscale approach enabled us to treat a large variety of polymer systems of large system size at low computational costs.

Translation of the abstract (German)

Das Ziel meiner Doktorarbeit war es feld-basierte Mehrskalenmodellierungstechniken zu entwickeln und anzuwenden, um die Leistung von Polymer-Nanogeräten zu verbessern, welche in optoelektronischen Anwendungen eingesetzt werden. Hierzu haben wir SCFT-Techniken hergenommen, um die Polymer-Morphologien zu ermitteln, in Verbindung mit einem geeigneten DMC-Algorithmus, zur Simulation des ...

Translation of the abstract (German)

Das Ziel meiner Doktorarbeit war es feld-basierte Mehrskalenmodellierungstechniken zu entwickeln und anzuwenden, um die Leistung von Polymer-Nanogeräten zu verbessern, welche in optoelektronischen Anwendungen eingesetzt werden. Hierzu haben wir SCFT-Techniken hergenommen, um die Polymer-Morphologien zu ermitteln, in Verbindung mit einem geeigneten DMC-Algorithmus, zur Simulation des photovoltaischen Prozesses. Der Einsatz der gekoppelten Mehrskalen-Modellierungsmethode ermöglichte uns eine große Vielzahl von ausgedehnten Polymer-Systemen bei niedrigem Rechenaufwand zu behandeln.

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Metadata last modified: 02 Jun 2018 08:52

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