Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers

Higgins, Anthony; Gutfreund, P.; Italia, V.; Hynes, Elizabeth L.

doi:10.1039/d2tc04916c

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Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers

Anthony Higgins

, P. Gutfreund

, V. Italia, Elizabeth L. Hynes

Journal of Materials Chemistry C, Volume: 11, Issue: 6, Pages: 2107 - 2119

Swansea University Authors: Anthony Higgins , Elizabeth L. Hynes

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DOI (Published version): 10.1039/d2tc04916c

Abstract

The thermal behaviour of small-molecule/polymer mixtures is of crucial significance in relation tothe operational stability of organic photovoltaics, and the equilibration (or otherwise) of domaincompositions and interfaces is of key importance for guiding design. Here, model phase-separatedmixtures...

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Published in:	Journal of Materials Chemistry C
ISSN:	2050-7526 2050-7534
Published:	Royal Society of Chemistry (RSC) 2023
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URI:	https://cronfa.swan.ac.uk/Record/cronfa62440
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In an extensive studyusing polystyrene molecular weights of 1.86, 4.73, and 278.2 kg mol1, depth profiles are measured as afunction of temperature using in situ neutron reflectivity, with initial sample composition profilescontaining layers that are either pure components or blends. Following thermal annealing at sufficientlyhigh temperatures we reproducibly observe changes in layer compositions, layer thicknesses andinterfacial roughnesses during temperature cycling that are reversible, irrespective of the startingcomposition profiles of the samples. 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spelling	v2 62440 2023-01-25 Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers 4db715667aa7bdc04e87b3ab696d206a 0000-0003-2804-8164 Anthony Higgins Anthony Higgins true false 8714f62a74dbd6c1e0014303503014b3 0000-0002-8867-5277 Elizabeth L. Hynes Elizabeth L. Hynes true true 2023-01-25 MEDE The thermal behaviour of small-molecule/polymer mixtures is of crucial significance in relation tothe operational stability of organic photovoltaics, and the equilibration (or otherwise) of domaincompositions and interfaces is of key importance for guiding design. Here, model phase-separatedmixtures of fullerene and polystyrene are studied in detail in a thin-film bilayer, to robustly examinewhether such systems satisfy two key requirements of thermodynamic equilibrium; (i) the attainment ofa state (at a given temperature) that minimises the free energy, independent of the starting state of thesystem, and (ii) the reversibility of transitions between such equilibrium states. In an extensive studyusing polystyrene molecular weights of 1.86, 4.73, and 278.2 kg mol1, depth profiles are measured as afunction of temperature using in situ neutron reflectivity, with initial sample composition profilescontaining layers that are either pure components or blends. Following thermal annealing at sufficientlyhigh temperatures we reproducibly observe changes in layer compositions, layer thicknesses andinterfacial roughnesses during temperature cycling that are reversible, irrespective of the startingcomposition profiles of the samples. This robust demonstration of equilibrium behaviour provides abenchmark for the understanding of mixing in small-molecule/polymer thin-films, with particularrelevance to the operation of organic photovoltaic devices Journal Article Journal of Materials Chemistry C 11 6 2107 2119 Royal Society of Chemistry (RSC) 2050-7526 2050-7534 16 1 2023 2023-01-16 10.1039/d2tc04916c Data availability:Data can be downloaded using the DOIs for the two experiments: https://doi.org/http://doi.ill.fr/10.5291/ILL-DATA.9-11-1903 and https://doi.org/http://doi.ill.fr/10.5291/ILL-DATA.9-11-1983 after an embargo period of four years. Requests for data earlier than this should be emailed to the corresponding author. COLLEGE NANME Biomedical Engineering COLLEGE CODE MEDE Swansea University SU Library paid the OA fee (TA Institutional Deal) EH acknowledges Swansea University for funding her studentship. 2023-11-15T12:09:07.4594896 2023-01-25T10:40:09.4756518 Faculty of Science and Engineering School of Engineering and Applied Sciences - Biomedical Engineering Anthony Higgins 0000-0003-2804-8164 1 P. Gutfreund 0000-0002-7412-8571 2 V. Italia 3 Elizabeth L. Hynes 0000-0002-8867-5277 4 62440__26393__9f7125625cd44482bf51aafd5de7ffbd.pdf 62440.pdf 2023-01-25T10:46:36.6110435 Output 3467763 application/pdf Version of Record true This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. true eng http://creativecommons.org/licenses/by/3.0/
title	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
spellingShingle	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers Anthony Higgins Elizabeth L. Hynes
title_short	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
title_full	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
title_fullStr	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
title_full_unstemmed	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
title_sort	Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers
author_id_str_mv	4db715667aa7bdc04e87b3ab696d206a 8714f62a74dbd6c1e0014303503014b3
author_id_fullname_str_mv	4db715667aa7bdc04e87b3ab696d206a_*_Anthony Higgins 8714f62a74dbd6c1e0014303503014b3_*_Elizabeth L. Hynes
author	Anthony Higgins Elizabeth L. Hynes
author2	Anthony Higgins P. Gutfreund V. Italia Elizabeth L. Hynes
format	Journal article
container_title	Journal of Materials Chemistry C
container_volume	11
container_issue	6
container_start_page	2107
publishDate	2023
institution	Swansea University
issn	2050-7526 2050-7534
doi_str_mv	10.1039/d2tc04916c
publisher	Royal Society of Chemistry (RSC)
college_str	Faculty of Science and Engineering
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department_str	School of Engineering and Applied Sciences - Biomedical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Biomedical Engineering
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description	The thermal behaviour of small-molecule/polymer mixtures is of crucial significance in relation tothe operational stability of organic photovoltaics, and the equilibration (or otherwise) of domaincompositions and interfaces is of key importance for guiding design. Here, model phase-separatedmixtures of fullerene and polystyrene are studied in detail in a thin-film bilayer, to robustly examinewhether such systems satisfy two key requirements of thermodynamic equilibrium; (i) the attainment ofa state (at a given temperature) that minimises the free energy, independent of the starting state of thesystem, and (ii) the reversibility of transitions between such equilibrium states. In an extensive studyusing polystyrene molecular weights of 1.86, 4.73, and 278.2 kg mol1, depth profiles are measured as afunction of temperature using in situ neutron reflectivity, with initial sample composition profilescontaining layers that are either pure components or blends. Following thermal annealing at sufficientlyhigh temperatures we reproducibly observe changes in layer compositions, layer thicknesses andinterfacial roughnesses during temperature cycling that are reversible, irrespective of the startingcomposition profiles of the samples. This robust demonstration of equilibrium behaviour provides abenchmark for the understanding of mixing in small-molecule/polymer thin-films, with particularrelevance to the operation of organic photovoltaic devices
published_date	2023-01-16T12:09:10Z
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score	11.035634

Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers

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