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Cirillo, E. N. .., Colangeli, M., Moons, E., Muntean, A., Muntean, S. A. & van Stam, J. (2019). A lattice model approach to the morphology formation from ternary mixtures during the evaporation of one component. The European Physical Journal Special Topics, 228(1), 55-68
Open this publication in new window or tab >>A lattice model approach to the morphology formation from ternary mixtures during the evaporation of one component
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2019 (English)In: The European Physical Journal Special Topics, ISSN 1951-6355, E-ISSN 1951-6401, Vol. 228, no 1, p. 55-68Article in journal (Refereed) Published
Abstract [en]

Stimulated by experimental evidence in the field of solution-born thin films, we study the morphology formation in a three state lattice system subjected to the evaporation of one component. The practical problem that we address is the understanding of the parameters that govern morphology formation from a ternary mixture upon evaporation, as is the case in the fabrication of thin films from solution for organic photovoltaics. We use, as a tool, a generalized version of the Potts and Blume-Capel models in 2D, with the Monte Carlo Kawasaki-Metropolis algorithm, to simulate the phase behaviour of a ternary mixture upon evaporation of one of its components. The components with spin 1, −1 and 0 in the Blume-Capel dynamics correspond to the electron-acceptor, electron-donor and solvent molecules, respectively, in a ternary mixture used in the preparation of the active layer films in an organic solar cell. Furthermore, we introduce parameters that account for the relative composition of the mixture, temperature, and interaction between the species in the system. We identify the parameter regions that are prone to facilitate the phase separation. Furthermore, we study qualitatively the types of formed configurations. We show that even a relatively simple model, as the present one, can generate key morphological features, similar to those observed in experiments, which proves the method valuable for the study of complex systems.

Place, publisher, year, edition, pages
Springer, 2019
National Category
Physical Sciences
Research subject
Physics
Identifiers
urn:nbn:se:kau:diva-72448 (URN)10.1140/epjst/e2019-800140-1 (DOI)000469252900005 ()2-s2.0-85066267269 (Scopus ID)
Available from: 2019-06-12 Created: 2019-06-12 Last updated: 2019-07-02Bibliographically approved
Holmes, N. P., Marks, M., Cave, J. M., Feron, K., Barr, M. G., Fahy, A., . . . Dastoor, P. C. (2018). Engineering Two-Phase and Three-Phase Microstructures from Water-Based Dispersions of Nanoparticles for Eco-Friendly Polymer Solar Cell Applications. Chemistry of Materials, 30(18), 6521-6531
Open this publication in new window or tab >>Engineering Two-Phase and Three-Phase Microstructures from Water-Based Dispersions of Nanoparticles for Eco-Friendly Polymer Solar Cell Applications
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2018 (English)In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 30, no 18, p. 6521-6531Article in journal (Refereed) Published
Abstract [en]

Nanoparticle organic photovoltaics, a subfield of organic photovoltaics (OPV), has attracted increasing interest in recent years due to the eco-friendly fabrication of solar modules afforded by colloidal ink technology. Importantly, using this approach it is now possible to engineer the microstructure of the light absorbing/charge generating layer of organic photovoltaics; decoupling film morphology from film deposition. In this study, single-component nanoparticles of poly(3-hexylthiophene) (P3HT) and phenyl-C61 butyric acid methyl ester (PC61BM) were synthesized and used to generate a two-phase microstructure with control over domain size prior to film deposition. Scanning transmission X-ray microscopy (STXM) and electron microscopy were used to characterize the thin film morphology. Uniquely, the measured microstructure was a direct input for a nanoscopic kinetic Monte Carlo (KMC) model allowing us to assess exciton transport properties that are experimentally inaccessible in these single-component particles. Photoluminescence, UV-vis spectroscopy measurements, and KMC results of the nanoparticle thin films enabled the calculation of an experimental exciton dissociation efficiency (ηED) of 37% for the two-phase microstructure. The glass transition temperature (Tg) of the materials was characterized with dynamic mechanical thermal analysis (DMTA) and thermal annealing led to an increase in ηED to 64% due to an increase in donor-acceptor interfaces in the thin film from both sintering of neighboring opposite-type particles in addition to the generation of a third mixed phase from diffusion of PC61BM into amorphous P3HT domains. As such, this study demonstrates the higher level of control over donor-acceptor film morphology enabled by customizing nanoparticulate colloidal inks, where the optimal three-phase film morphology for an OPV photoactive layer can be designed and engineered.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018
Keywords
Amorphous films, Amorphous materials, Butyric acid, Cell engineering, Colloids, Deposition, Environmental protection, Excitons, Glass transition, Morphology, Nanoparticles, Polymer solar cells, Scanning electron microscopy, Sintering, Solar cells, Solar power generation, Synthesis (chemical), Thermoanalysis, Thin films, Ultraviolet visible spectroscopy, D. dynamic mechanical thermal analyses (DMTA), Donor-acceptor interfaces, Kinetic Monte Carlo modeling, Scanning transmission x ray microscopy, Solar-cell applications, Three phase microstructure, Two-phase microstructures, Water based dispersion, Microstructure
National Category
Physical Sciences Chemical Sciences
Research subject
Physics; Chemistry
Identifiers
urn:nbn:se:kau:diva-69365 (URN)10.1021/acs.chemmater.8b03222 (DOI)000445972100036 ()2-s2.0-85052858083 (Scopus ID)
Available from: 2018-09-21 Created: 2018-09-21 Last updated: 2018-10-24Bibliographically approved
Lindqvist, C., Moons, E. & van Stam, J. (2018). Fullerene aggregation in thin films of polymer blends for solar cell applications. Materials, 11(11), Article ID 2068.
Open this publication in new window or tab >>Fullerene aggregation in thin films of polymer blends for solar cell applications
2018 (English)In: Materials, ISSN 1996-1944, E-ISSN 1996-1944, Vol. 11, no 11, article id 2068Article in journal (Refereed) Published
Abstract [en]

We report on the effects of the film morphology on the fluorescence spectra for a thin film including a quinoxaline-based co-polymer (TQ1) and a fullerene derivative ([6,6]-phenyl-C71-butyric acid methyl ester-PC70BM). The ratio between the polymer and the fullerene derivative, as well as the processing solvent, were varied. Besides the main emission peak at 700 nm in the fluorescence spectra of thin films of this phase-separated blend, a broad emission band is observed with a maximum at 520-550 nm. The intensity of this emission band decreases with an increasing degree of mixing in the film and becomes most prominent in thicker films, films with high PC70BM content, and films that were spin-coated from solvents with lower PC70BM solubility. We assign this emission band to aggregated PC70BM.

Place, publisher, year, edition, pages
MDPI, 2018
Keywords
Fluorescence, Fullerene aggregation, Organic photovoltaics, Organic solar cells, Butyric acid, Fullerenes, Polymer blends, Polymer films, Solar cells, Solar power generation, Broad emission bands, Degree of mixing, Emission bands, Film morphology, Fluorescence spectra, Fullerene derivative, Solar-cell applications, Thin films
National Category
Chemical Sciences Physical Sciences
Research subject
Physics; Chemistry
Identifiers
urn:nbn:se:kau:diva-70341 (URN)10.3390/ma11112068 (DOI)000451755500003 ()2-s2.0-85055594581 (Scopus ID)
Available from: 2018-11-29 Created: 2018-11-29 Last updated: 2019-04-26Bibliographically approved
van Stam, J., Ericsson, L., Deribew, D. & Moons, E. (2018). Morphology in Dip-Coated Blend Films for Photovoltaics Studied by UV/VIS Absorption and Fluorescence Spectroscopy. In: S. Reineke, K. Vandewal (Ed.), Organic Electronics and Photonics: Fundamentals and Devices. Paper presented at Conference on Organic Electronics and Photonics - Fundamentals and Devices, APR 24-26, 2018, Strasbourg, FRANCE. SPIE-INT SOC OPTICAL ENGINEERING, Article ID UNSP 106870A.
Open this publication in new window or tab >>Morphology in Dip-Coated Blend Films for Photovoltaics Studied by UV/VIS Absorption and Fluorescence Spectroscopy
2018 (English)In: Organic Electronics and Photonics: Fundamentals and Devices / [ed] S. Reineke, K. Vandewal, SPIE-INT SOC OPTICAL ENGINEERING , 2018, article id UNSP 106870AConference paper, Published paper (Refereed)
Abstract [en]

Blend thin films, prepared by dip-coating, of polyfluorene (F8 or PFO), acting as an electron donor, and [6,6]-phenyl-C-61-butyric acid methyl ester (PC60BM), acting as the electron acceptor, have been characterized by UV/VIS absorption spectroscopy, static and dynamic fluorescence, and atomic force microscopy. Four different solvents were used for the film preparation; the monohalogenated fluorobenzene and chlorobenzene and their dihalogenated counterparts o-difluorobenzene and o-dichlorobenzene, respectively. Fluid mechanics calculations were used to determine the withdrawal speed for each solvent, in order to prepare wet films of comparable thicknesses. The resulting dry films were also of similar thicknesses. It was found that the choice of solvent influences the ability for F8 to form its beta-phase.

Place, publisher, year, edition, pages
SPIE-INT SOC OPTICAL ENGINEERING, 2018
Series
Proceedings of SPIE, ISSN 0277-786X ; 10687
National Category
Physical Sciences Materials Engineering Chemical Sciences
Research subject
Physics; Chemistry
Identifiers
urn:nbn:se:kau:diva-70966 (URN)10.1117/12.2306857 (DOI)000453618300001 ()978-1-5106-1901-2 (ISBN)
Conference
Conference on Organic Electronics and Photonics - Fundamentals and Devices, APR 24-26, 2018, Strasbourg, FRANCE
Available from: 2019-02-07 Created: 2019-02-07 Last updated: 2019-06-14Bibliographically approved
van Stam, J., Van fraeyenhoven, P., Andersén, M. & Moons, E. (2016). Comparing Morphology in Dip-Coated and Spin-Coated Polyfluorene:Fullerene Films. In: Zakya H. Kafafi, Paul A. Lane, Ifor D.W. Samuel (Ed.), Proceedings of SPIE: Organic Photovoltaics XVII. Paper presented at 17th Conference on Organic Photovoltaic Devices (pp. 99420D-1-99420D-10). SPIE - International Society for Optical Engineering, 9942, Article ID UNSP 99420D.
Open this publication in new window or tab >>Comparing Morphology in Dip-Coated and Spin-Coated Polyfluorene:Fullerene Films
2016 (English)In: Proceedings of SPIE: Organic Photovoltaics XVII / [ed] Zakya H. Kafafi, Paul A. Lane, Ifor D.W. Samuel, SPIE - International Society for Optical Engineering, 2016, Vol. 9942, p. 99420D-1-99420D-10, article id UNSP 99420DConference paper, Published paper (Refereed)
Place, publisher, year, edition, pages
SPIE - International Society for Optical Engineering, 2016
Series
Proceedings of SPIE, ISSN 0277-786X
Keywords
Organic photovoltaics, fluorescence, UV/VIS absorption, polymer blend, film morphology, deposition methods, dip-coating
National Category
Physical Chemistry Condensed Matter Physics
Research subject
Chemistry; Physics
Identifiers
urn:nbn:se:kau:diva-46358 (URN)10.1117/12.2237819 (DOI)000389504100002 ()978-1-5106-0275-5 (ISBN)978-1-5106-0276-2 (ISBN)
Conference
17th Conference on Organic Photovoltaic Devices
Funder
Swedish National Space Board, 151/15Swedish Energy Agency, 38237-1Swedish Research Council, 2015-03778Göran Gustafsson Foundation for Research in Natural Sciences and Medicine
Available from: 2016-10-02 Created: 2016-10-02 Last updated: 2019-06-17Bibliographically approved
van Stam, J., Lindqvist, C., Hansson, R., Ericsson, L. & Moons, E. (2015). Fluorescence and UV/VIS absorption spectroscopy studies on polymer blend films for photovoltaics. In: Hayes, SC; Bittner, ER (Ed.), Proceedings of SPIE: Physical Chemistry of Interfaces and Nanomaterials XIV. Paper presented at 2015 Optics + Photonics conference, 9-13 August 2015, San Diego, California, (pp. 95490L1-95490L9). SPIE - International Society for Optical Engineering, 9549
Open this publication in new window or tab >>Fluorescence and UV/VIS absorption spectroscopy studies on polymer blend films for photovoltaics
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2015 (English)In: Proceedings of SPIE: Physical Chemistry of Interfaces and Nanomaterials XIV / [ed] Hayes, SC; Bittner, ER, SPIE - International Society for Optical Engineering, 2015, Vol. 9549, p. 95490L1-95490L9Conference paper, Published paper (Refereed)
Place, publisher, year, edition, pages
SPIE - International Society for Optical Engineering, 2015
National Category
Physical Chemistry
Research subject
Chemistry
Identifiers
urn:nbn:se:kau:diva-38102 (URN)10.1117/12.2188618 (DOI)000365189200005 ()
Conference
2015 Optics + Photonics conference, 9-13 August 2015, San Diego, California,
Available from: 2015-10-05 Created: 2015-10-05 Last updated: 2018-06-20Bibliographically approved
van Stam, J., Hansson, R., Lindqvist, C., Ericsson, L. & Moons, E. (2015). Fluorescence spectroscopy studies on polymer blend solutions and films for photovoltaics. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 483, 292-296
Open this publication in new window or tab >>Fluorescence spectroscopy studies on polymer blend solutions and films for photovoltaics
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2015 (English)In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 483, p. 292-296Article in journal (Refereed) Published
Place, publisher, year, edition, pages
Elsevier, 2015
National Category
Physical Chemistry
Identifiers
urn:nbn:se:kau:diva-38100 (URN)10.1016/j.colsurfa.2015.04.003 (DOI)000362146200039 ()
Available from: 2015-10-05 Created: 2015-10-05 Last updated: 2018-06-20Bibliographically approved
Hillerström, A., Andersson, M., Samuelsson, J. & van Stam, J. (2014). Solvent strategies for loading and release in mesoporous silica. Colloid and Interface Science Communications, 3, 5-8
Open this publication in new window or tab >>Solvent strategies for loading and release in mesoporous silica
2014 (English)In: Colloid and Interface Science Communications, ISSN 2215-0382, Vol. 3, p. 5-8Article in journal (Refereed) Published
Abstract [en]

A model molecule, ibuprofen, was loaded in the pores of mesoporous silica by adsorption from nonpolar solvents (liquid carbon dioxide and cyclohexane) and from a polar solvent (methanol). It was sufficient with a very low concentration of ibuprofen in the nonpolar solvents to achieve maximum loading of ibuprofen in the mesoporous particles. When using liquid carbon dioxide, the pores of the mesoporous silica particles were filled completely with ibuprofen at a lower ibuprofen concentration than similar experiments performed with cyclohexane. When methanol was used, the maximum amount of loaded ibuprofen was never achieved. Furthermore, x-ray scattering showed that all ibuprofen loaded into the mesoporous particles were in an amorphous state. Ibuprofen was released from the mesoporous particles to water within a couple of minutes, regardless of solvent used for loading. It was found that the release of ibuprofen from mesoporous silica was much faster than that of crystalline ibuprofen.

Place, publisher, year, edition, pages
Amsterdam: Elsevier, 2014
Keywords
Mesoporous silica; Green solvents; Liquid carbon dioxide; Adsorption isotherm
National Category
Physical Chemistry
Research subject
Chemistry
Identifiers
urn:nbn:se:kau:diva-35690 (URN)10.1016/j.colcom.2015.01.001 (DOI)
Funder
Knowledge Foundation, 2004/0044
Available from: 2015-03-24 Created: 2015-03-24 Last updated: 2017-12-04Bibliographically approved
Anselmo, A. S., Dzwilewski, A., Wang, E., Andersson, M. R., van Stam, J., Svensson, K. & Moons, E. (2012). Molecular orientation and composition at the surface of APFO3:PCBM blend films. In: Anders Hagfeldt (Ed.), Hybrid and Organics Photovoltaics Conference: Uppsala, Sweden, 2012. Paper presented at 4th international Conference on Hybrid and Organic Photovoltaics, HOPV12, Uppsala, 6-9 May 2012 (pp. 278). SEFIN, Castelló (Spain)
Open this publication in new window or tab >>Molecular orientation and composition at the surface of APFO3:PCBM blend films
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2012 (English)In: Hybrid and Organics Photovoltaics Conference: Uppsala, Sweden, 2012 / [ed] Anders Hagfeldt, SEFIN, Castelló (Spain), 2012, p. 278-Conference paper, Poster (with or without abstract) (Refereed)
Place, publisher, year, edition, pages
SEFIN, Castelló (Spain): , 2012
Series
Nanoenergy Series ; Vol. 9
Keywords
polymer, solar cell, photovoltaics
National Category
Materials Chemistry Condensed Matter Physics
Research subject
Materials Science; Physics; Chemistry
Identifiers
urn:nbn:se:kau:diva-29032 (URN)978-84-940189-0-9 (ISBN)
Conference
4th international Conference on Hybrid and Organic Photovoltaics, HOPV12, Uppsala, 6-9 May 2012
Funder
Swedish Research Council, 2010-4155
Available from: 2013-09-13 Created: 2013-09-13 Last updated: 2019-05-20Bibliographically approved
Anselmo, A. S., Lindgren, L., Svensson, K., Hörmann, U., Brütting, W., van Stam, J., . . . Moons, E. (2012). Polyfluorene copolymers with functionalized side chains: Opto-electronic properties and solar cell performance.
Open this publication in new window or tab >>Polyfluorene copolymers with functionalized side chains: Opto-electronic properties and solar cell performance
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2012 (English)Manuscript (preprint) (Other academic)
Keywords
conjugated polymers, photovoltaics, bulk heterojunction, acceptor-donor interaction, HOMO/LUMO levels, I-V characteristics
National Category
Physical Sciences
Identifiers
urn:nbn:se:kau:diva-16108 (URN)
Available from: 2012-12-07 Created: 2012-12-07 Last updated: 2017-12-06Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-0995-3823

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