Diketopyrrolopyrrole-Based Organic Solar Cells Functionality: The Role of Orbital Energy and Crystallinity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F28778758%3A_____%2F19%3AN0000007" target="_blank" >RIV/28778758:_____/19:N0000007 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/19:00505102 RIV/61389013:_____/19:00505102 RIV/00216305:26310/19:PU132595
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b01328" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.9b01328</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.9b01328" target="_blank" >10.1021/acs.jpcc.9b01328</a>
Alternative languages
Result language
angličtina
Original language name
Diketopyrrolopyrrole-Based Organic Solar Cells Functionality: The Role of Orbital Energy and Crystallinity
Original language description
In this work, we investigated diketopyrrolopyrrolu (DPP) derivatives as potential donor materials for fullerene:DPP solar cells. The derivatives 3,6-bis(5-(benzofuran-2-yl)thiophene-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]-pyrrole-1,4-dione (DPP(TBFu)2) and 3,6-bis(5-(benzothiophene-2-yl)thiophene-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4-dione (DPP(TBTh)2) were modified by introducing a nitrogen atom into the terminal moiety of the molecule. Our quantum-chemical calculations predicted that this modification would increase the rigidity of the molecular structure and increase the ionization potential relative to the original DPP derivatives. The higher ionization potential primarily supports an enhancement in the open circuit voltage, and a more rigid molecular structure will contribute to reduced nonradiative losses. We experimentally verified the fullerene:DPP solar cell concept based on the coincidence of a smaller driving force for charge separation at the donor/acceptor interface and the crystallinity of the studied DPP derivatives for preparing effective photovoltaic devices. The reduction of the driving force for charge separation could be overcome by more structured/packed donor DPP materials; the delocalization of electrons and holes in such structured materials improves charge separation in OPV devices. Using wide range of experimental methods, we determined the parameters of the studied DPP materials with PC70BM in thin films. This work contributes to practical applications by verifying the concept of this organic solar cell design.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
The Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
1932-7455
Volume of the periodical
123
Issue of the periodical within the volume
18
Country of publishing house
US - UNITED STATES
Number of pages
17
Pages from-to
11447-11463
UT code for WoS article
000467781000014
EID of the result in the Scopus database
2-s2.0-85065667934