Unravelling the photodegradation mechanisms of a low bandgap polymer by combining experimental and modeling approaches

Isabel Fraga Domínguez, Paul D. Topham, Pierre Olivier Bussière, Didier Bégué, Agnès Rivaton

Research output: Contribution to journalArticle

Abstract

Large-scale introduction of Organic Solar Cells (OSCs) onto the market is currently limited by their poor stability in light and air, factors present in normal working conditions for these devices. Thus, great efforts have to be undertaken to understand the photodegradation mechanisms of their organic materials in order to find solutions that mitigate these effects. This study reports on the elucidation of the photodegradation mechanisms occurring in a low bandgap polymer, namely, Si-PCPDTBT (poly[(4,4′-bis(2-ethylhexyl)dithieno[3,2-b:2′,3′-d]silole)-2,6-diyl-alt-(4,7-bis(2-thienyl)-2,1,3-benzothiadiazole)-5,5′-diyl]). Complementary analytical techniques (AFM, HS-SPME-GC-MS, UV-vis and IR spectroscopy) have been employed to monitor the modification of the chemical structure of the polymer upon photooxidative aging and the subsequent consequences on its architecture and nanomechanical properties. Furthermore, these different characterization techniques have been combined with a theoretical approach based on quantum chemistry to elucidate the evolution of the polymer alkyl side chains and backbone throughout exposure. Si-PCPDTBT is shown to be more stable against photooxidation than the commonly studied p-type polymers P3HT and PCDTBT, while modeling demonstrated the benefits of using silicon as a bridging atom in terms of photostability. (Figure Presented).

LanguageEnglish
Pages2166-2176
Number of pages11
JournalJournal of Physical Chemistry: Part C
Volume119
Issue number4
Early online date19 Jan 2014
DOIs
Publication statusPublished - 29 Jan 2015

Fingerprint

Photodegradation
Polymers
Energy gap
polymers
Quantum chemistry
Photooxidation
Silicon
Ultraviolet spectroscopy
photooxidation
Infrared spectroscopy
quantum chemistry
organic materials
Aging of materials
Atoms
solar cells
atomic force microscopy
Air
air
silicon
spectroscopy

Cite this

Domínguez, Isabel Fraga ; Topham, Paul D. ; Bussière, Pierre Olivier ; Bégué, Didier ; Rivaton, Agnès. / Unravelling the photodegradation mechanisms of a low bandgap polymer by combining experimental and modeling approaches. In: Journal of Physical Chemistry: Part C. 2015 ; Vol. 119, No. 4. pp. 2166-2176.
@article{6b9590736e4a4ab1b782eb9abbd842c4,
title = "Unravelling the photodegradation mechanisms of a low bandgap polymer by combining experimental and modeling approaches",
abstract = "Large-scale introduction of Organic Solar Cells (OSCs) onto the market is currently limited by their poor stability in light and air, factors present in normal working conditions for these devices. Thus, great efforts have to be undertaken to understand the photodegradation mechanisms of their organic materials in order to find solutions that mitigate these effects. This study reports on the elucidation of the photodegradation mechanisms occurring in a low bandgap polymer, namely, Si-PCPDTBT (poly[(4,4′-bis(2-ethylhexyl)dithieno[3,2-b:2′,3′-d]silole)-2,6-diyl-alt-(4,7-bis(2-thienyl)-2,1,3-benzothiadiazole)-5,5′-diyl]). Complementary analytical techniques (AFM, HS-SPME-GC-MS, UV-vis and IR spectroscopy) have been employed to monitor the modification of the chemical structure of the polymer upon photooxidative aging and the subsequent consequences on its architecture and nanomechanical properties. Furthermore, these different characterization techniques have been combined with a theoretical approach based on quantum chemistry to elucidate the evolution of the polymer alkyl side chains and backbone throughout exposure. Si-PCPDTBT is shown to be more stable against photooxidation than the commonly studied p-type polymers P3HT and PCDTBT, while modeling demonstrated the benefits of using silicon as a bridging atom in terms of photostability. (Figure Presented).",
author = "Dom{\'i}nguez, {Isabel Fraga} and Topham, {Paul D.} and Bussi{\`e}re, {Pierre Olivier} and Didier B{\'e}gu{\'e} and Agn{\`e}s Rivaton",
year = "2015",
month = "1",
day = "29",
doi = "10.1021/jp5103065",
language = "English",
volume = "119",
pages = "2166--2176",
journal = "Journal of Physical Chemistry: Part C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "4",

}

Unravelling the photodegradation mechanisms of a low bandgap polymer by combining experimental and modeling approaches. / Domínguez, Isabel Fraga; Topham, Paul D.; Bussière, Pierre Olivier; Bégué, Didier; Rivaton, Agnès.

In: Journal of Physical Chemistry: Part C, Vol. 119, No. 4, 29.01.2015, p. 2166-2176.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Unravelling the photodegradation mechanisms of a low bandgap polymer by combining experimental and modeling approaches

AU - Domínguez, Isabel Fraga

AU - Topham, Paul D.

AU - Bussière, Pierre Olivier

AU - Bégué, Didier

AU - Rivaton, Agnès

PY - 2015/1/29

Y1 - 2015/1/29

N2 - Large-scale introduction of Organic Solar Cells (OSCs) onto the market is currently limited by their poor stability in light and air, factors present in normal working conditions for these devices. Thus, great efforts have to be undertaken to understand the photodegradation mechanisms of their organic materials in order to find solutions that mitigate these effects. This study reports on the elucidation of the photodegradation mechanisms occurring in a low bandgap polymer, namely, Si-PCPDTBT (poly[(4,4′-bis(2-ethylhexyl)dithieno[3,2-b:2′,3′-d]silole)-2,6-diyl-alt-(4,7-bis(2-thienyl)-2,1,3-benzothiadiazole)-5,5′-diyl]). Complementary analytical techniques (AFM, HS-SPME-GC-MS, UV-vis and IR spectroscopy) have been employed to monitor the modification of the chemical structure of the polymer upon photooxidative aging and the subsequent consequences on its architecture and nanomechanical properties. Furthermore, these different characterization techniques have been combined with a theoretical approach based on quantum chemistry to elucidate the evolution of the polymer alkyl side chains and backbone throughout exposure. Si-PCPDTBT is shown to be more stable against photooxidation than the commonly studied p-type polymers P3HT and PCDTBT, while modeling demonstrated the benefits of using silicon as a bridging atom in terms of photostability. (Figure Presented).

AB - Large-scale introduction of Organic Solar Cells (OSCs) onto the market is currently limited by their poor stability in light and air, factors present in normal working conditions for these devices. Thus, great efforts have to be undertaken to understand the photodegradation mechanisms of their organic materials in order to find solutions that mitigate these effects. This study reports on the elucidation of the photodegradation mechanisms occurring in a low bandgap polymer, namely, Si-PCPDTBT (poly[(4,4′-bis(2-ethylhexyl)dithieno[3,2-b:2′,3′-d]silole)-2,6-diyl-alt-(4,7-bis(2-thienyl)-2,1,3-benzothiadiazole)-5,5′-diyl]). Complementary analytical techniques (AFM, HS-SPME-GC-MS, UV-vis and IR spectroscopy) have been employed to monitor the modification of the chemical structure of the polymer upon photooxidative aging and the subsequent consequences on its architecture and nanomechanical properties. Furthermore, these different characterization techniques have been combined with a theoretical approach based on quantum chemistry to elucidate the evolution of the polymer alkyl side chains and backbone throughout exposure. Si-PCPDTBT is shown to be more stable against photooxidation than the commonly studied p-type polymers P3HT and PCDTBT, while modeling demonstrated the benefits of using silicon as a bridging atom in terms of photostability. (Figure Presented).

UR - http://www.scopus.com/inward/record.url?scp=84949117456&partnerID=8YFLogxK

U2 - 10.1021/jp5103065

DO - 10.1021/jp5103065

M3 - Article

VL - 119

SP - 2166

EP - 2176

JO - Journal of Physical Chemistry: Part C

T2 - Journal of Physical Chemistry: Part C

JF - Journal of Physical Chemistry: Part C

SN - 1932-7447

IS - 4

ER -