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Donets, Sergii ; Pershin, Anton ; Christlmaier, Martin J. A. ; Baeurle, Stephan A.

A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices

Donets, Sergii , Pershin, Anton, Christlmaier, Martin J. A. und Baeurle, Stephan A. (2013) A multiscale modeling study of loss processes in block-copolymer-based solar cell nanodevices. The Journal of Chemical Physics 138, 094901.

Veröffentlichungsdatum dieses Volltextes: 21 Okt 2016 11:19
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.34743


Zusammenfassung

Flexible photovoltaic devices possess promising perspectives in opto-electronic technologies, where high mobility and/or large-scale applicability are important. However, their usefulness in such applications is currently still limited due to the low level of optimization of their performance and durability. For the improvement of these properties, a better understanding and control of ...

Flexible photovoltaic devices possess promising perspectives in opto-electronic technologies, where high mobility and/or large-scale applicability are important. However, their usefulness in such applications is currently still limited due to the low level of optimization of their performance and durability. For the improvement of these properties, a better understanding and control of small-scale annihilation phenomena involved in the photovoltaic process, such as exciton loss and charge carrier loss, is necessary, which typically implicates multiple length- and time-scales. Here, we study the causes for their occurrence on the example of nanostructured diblock- and triblock-copolymer systems by making use of a novel solar-cell simulation algorithm and explore new routes to optimize their photovoltaic properties. A particular focus is set on the investigation of exciton and charge carrier loss phenomena and their dependence on the inter-monomeric interaction strength, chain architecture, and external mechanical loading. Our simulation results reveal that in the regime from low up to intermediate.-parameters an increasing number of continuous percolation paths is created. In this parameter range, the internal quantum efficiency (IQE) increases up to a maximum, characterized by a minimum in the number of charge losses due to charge recombination. In the regime of high.-parameters both block-copolymer systems form nanostructures with a large number of bottlenecks and dead ends. These lead to a large number of charge losses due to charge recombination, charge trapping, and a deteriorated exciton dissociation, resulting in a significant drop in the IQE. Moreover, we find that the photovoltaic performance of the triblock-copolymer material decreases with increasing mechanical loading, caused by a growing number of charge losses due to charge recombination and charge accumulation. Finally, we demonstrate that the process of charge trapping in defects can be reversed by changing the polarity of the electrodes, which confers these materials the ability to be used as charge storage media. (C) 2013 American Institute of Physics.[http://dx.doi.org/10.1063/1.4792366]



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Details

DokumentenartArtikel
Titel eines Journals oder einer ZeitschriftThe Journal of Chemical Physics
Verlag:AMER INST PHYSICS
Ort der Veröffentlichung:MELVILLE
Band:138
Seitenbereich:094901
Datum2013
InstitutionenChemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle
Identifikationsnummer
WertTyp
10.1063/1.4792366DOI
Stichwörter / KeywordsCONJUGATED POLYMERS; EXCITON DIFFUSION; FIELD; RECOMBINATION; TRANSITION; SIMULATION; DEPENDENCE; MORPHOLOGY; DYNAMICS; MOBILITY;
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 540 Chemie
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-347433
Dokumenten-ID34743

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