Diketopyrrolopyrrole-Based Organic Solar Cells Functionality: The Role of Orbital Energy and Crystallinity

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/68378271:_____/19:00505102 RIV/61389013:_____/19:00505102 RIV/00216305:26310/19:PU132595

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Diketopyrrolopyrrole-Based Organic Solar Cells Functionality: The Role of Orbital Energy and Crystallinity

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Diketopyrrolopyrrole-Based Organic Solar Cells Functionality: The Role of Orbital Energy and Crystallinity

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

The Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

123

Číslo periodika v rámci svazku

18

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

17

Strana od-do

11447-11463

Kód UT WoS článku

000467781000014

EID výsledku v databázi Scopus

2-s2.0-85065667934