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Luminescent Conjugated Polymers for Energy Materials

Lead Research Organisation: University of Cambridge
Department Name: Chemistry

Abstract

The development of new materials for energy applications is of utmost importance both nationally and internationally in order to establish energy generation, storage and usage in a secure and environmentally friendly manner.

Conjugated polymers have been successfully applied to virtually all aspects of energy materials with promising results but so far their efficiency and performance has generally failed to match those of competing technologies. The origin of their poorer performance can generally be traced back to their low luminescence efficiencies which results in large amounts of energy being lost as waste heat. This is particularly evident in applications where there is a conversion from light to electricity (e.g. solar cells), or the reverse process (e.g. light emitting devices).

This proposal will deliver two new materials platforms which will drastically enhance the luminescence efficiency of conjugated polymers, both in neat films and in blends substantially increasing their performance and allowing for them to be used in the next generation of energy materials applications.
The two main strategies that will be employed to achieve this will be to i) encapsulate the conjugated polymer backbone such that low energy non-emissive aggregate species cannot form and ii) the creation of polymers with narrow singlet-triplet energy gaps which can convert 'dark' triplets into 'bright' singlets through reverse intersystem crossing. Therefore, through the combination of precise interchain and energetic manipulation we will eliminate non-radiative loss mechanisms in conjugated polymers. These materials will then be implemented into a wide variety of energy applications such as solar cells, light emitting diodes, light emitting transistors and sensors for battery applications. Additionally, these materials will allow for advancements in virtually all conjugated polymer applications such as fluorescence imaging, photodynamic therapy, photocatalysis and bioelectronics.

These two new materials platforms will thus deliver fundamental scientific advances in the field of conjugated polymer design which will result in a new generation of high performance, low loss energy applications with ramifications throughout all fields where there is light-matter interaction.

Planned Impact

The scientific advancements within this proposal would have significant impact on all academic and industrial environments that involve light-matter interactions, predominantly in the field of energy research but also in areas as diverse as photonics and biomedical research.

The immediate beneficiaries of the proposed work will be the national and international academic and industrial communities involved in plastic electronics research, which itself spans many disciplines including chemistry, physics, materials science. It will provide researchers new chemical strategies to overcome the current limitations of conjugated materials and a pathway to the fabrication of higher efficiency devices (such solar cells, light emitting diodes, light emitting transistors and lasers), enabling the research community to become competitive with the current market leaders. The output from this proposal would therefore impact the numerous companies directly involved in the commercialisation of conjugated materials and their applications in devices such as Cambridge Display Technology, Eight19, Plastic Logicin the UK and Merck, BASF, Solvay, Next Energy Technologies, Heliatek, Solarmer, SONY and LG internationally.

This work also significantly impacts academic and industrial research outside of the immediate field of plastic electronics. They advancements we will deliver are to develop polymers which are highly emissive, predominantly in the red/near-IR region of the electromagnetic spectrum. Furthermore, one of the strategies we will use to achieve this will be through the generation of long lived excited states. These advances are highly relevant to sensing and healthcare technologies. Our proposed materials are therefore of direct significance to academic and industrial research in biomedical imaging, photodynamic therapy, sensors, spintronics and photonics in general.

The organic electronics industry set to be worth $75.82 Billion by 2020 indicating that national scientific and industrial leadership in this area would have a significant positive effect on both the knowledge and wealth economy. The resulting highly trained staff and students would be of direct benefit to the UK economy. Furthermore, the general public has an appetite for green technology which this proposal would deliver, enhancing public engagement. Finally, the UK government has committed to reducing its carbon footprint and developing green energy sources and good energy security. The development of efficient, low cost energy materials within this proposal directly addresses this urgent need, giving strong socio-economic benefits to the entire nation.

Publications

10 25 50
 
Description Is is typically assumed that a polymer emits less light when it is solid than when it is in solution. This work has shown that the reverse can be true opening up new ways to improve how much light a polymer can emit. Additionally we have discovered new types of conjugated polymers within even more efficient emission.
Exploitation Route It provides clear scientific pathways to study and improve how polymeric materials can be manipulated to emit more light in a way that was not thought possible.
Sectors Electronics

Energy

 
Title CCDC 1954751: Experimental Crystal Structure Determination 
Description Related Article: Jeroen Royakkers, Alessandro Minotto, Daniel G. Congrave, Weixuan Zeng, Adil Patel, Andrew D. Bond, Dejan-KreÅ¡imir Bucar, Franco Cacialli, Hugo Bronstein|2020|J.Org.Chem.|85|207|doi:10.1021/acs.joc.9b02597 
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc23m2hb&sid=DataCite
 
Title CCDC 1954752: Experimental Crystal Structure Determination 
Description Related Article: Jeroen Royakkers, Alessandro Minotto, Daniel G. Congrave, Weixuan Zeng, Adil Patel, Andrew D. Bond, Dejan-KreÅ¡imir Bucar, Franco Cacialli, Hugo Bronstein|2020|J.Org.Chem.|85|207|doi:10.1021/acs.joc.9b02597 
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc23m2jc&sid=DataCite
 
Title CCDC 2024118: Experimental Crystal Structure Determination 
Description Related Article: Daniel G. Congrave, Bluebell H. Drummond, Victor Gray, Andrew D. Bond, Akshay Rao, Richard H. Friend, Hugo Bronstein|2021|Polym.Chem.|12|1830|doi:10.1039/D1PY00118C 
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25y84k&sid=DataCite
 
Title CCDC 2079163: Experimental Crystal Structure Determination 
Description Related Article: Jeroen Royakkers, Kunping Guo, Daniel T. W. Toolan, Liang-Wen Feng, Alessandro Minotto, Daniel G. Congrave, Magda Danowska, Weixuan Zeng, Andrew D. Bond, Mohammed Al-Hashimi, Tobin J. Marks, Antonio Facchetti, Franco Cacialli, Hugo Bronstein|2021|Angew.Chem.,Int.Ed.|60|25005|doi:10.1002/anie.202110139 
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27sjsc&sid=DataCite
 
Title CCDC 2164360: Experimental Crystal Structure Determination 
Description Related Article: Michael Purdy, Jessica R. Walton, Kealan J. Fallon, Daniel T. W. Toolan, Peter Budden, Weixuan Zeng, Merina K. Corpinot, Dejan-Kres?imir Buc?ar, Lars van Turnhout, Richard Friend, Akshay Rao, Hugo Bronstein|2023|J.Am.Chem.Soc.|145|10712|doi:10.1021/jacs.3c00971 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2bn629&sid=DataCite
 
Title CCDC 2164409: Experimental Crystal Structure Determination 
Description Related Article: Anirudh Sharma, Lisa Sharma, Jules Bertrandie, Diego R. Villalva, Yajun Gao, Catherine S. P. De Castro, Joel Troughton, Julien Gorenflot, Frederic Laquai, Hugo Bronstein, Derya Baran|2023|Mater. Chem. Front.|7|735|doi:10.1039/D2QM01044E 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2bn7nx&sid=DataCite
 
Title CCDC 2177219: Experimental Crystal Structure Determination 
Description Related Article: Anirudh Sharma, Lisa Sharma, Jules Bertrandie, Diego R. Villalva, Yajun Gao, Catherine S. P. De Castro, Joel Troughton, Julien Gorenflot, Frederic Laquai, Hugo Bronstein, Derya Baran|2023|Mater. Chem. Front.|7|735|doi:10.1039/D2QM01044E 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c2kwx&sid=DataCite
 
Title CCDC 2179618: Experimental Crystal Structure Determination 
Description Related Article: Kealan J. Fallon, Nipun Sawhney, Daniel Thomas William Toolan, Ashish Sharma, Weixuan Zeng, Stephanie Montanaro, Anastasia Leventis, Simon Dowland, Oliver Millington, Daniel G. Congrave, Andrew D. Bond, Richard H. Friend, Akshay Rao, Hugo Bronstein|2022|J.Am.Chem.Soc.|144|23516|doi:10.1021/jacs.2c10254 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c528x&sid=DataCite
 
Title CCDC 2179619: Experimental Crystal Structure Determination 
Description Related Article: Kealan J. Fallon, Nipun Sawhney, Daniel Thomas William Toolan, Ashish Sharma, Weixuan Zeng, Stephanie Montanaro, Anastasia Leventis, Simon Dowland, Oliver Millington, Daniel G. Congrave, Andrew D. Bond, Richard H. Friend, Akshay Rao, Hugo Bronstein|2022|J.Am.Chem.Soc.|144|23516|doi:10.1021/jacs.2c10254 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c529y&sid=DataCite
 
Title CCDC 2179620: Experimental Crystal Structure Determination 
Description Related Article: Kealan J. Fallon, Nipun Sawhney, Daniel Thomas William Toolan, Ashish Sharma, Weixuan Zeng, Stephanie Montanaro, Anastasia Leventis, Simon Dowland, Oliver Millington, Daniel G. Congrave, Andrew D. Bond, Richard H. Friend, Akshay Rao, Hugo Bronstein|2022|J.Am.Chem.Soc.|144|23516|doi:10.1021/jacs.2c10254 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c52bz&sid=DataCite
 
Title CCDC 2195365: Experimental Crystal Structure Determination 
Description Related Article: Petri Murto, Rituparno Chowdhury, Weixuan Zeng, Erjuan Guo, Sebastian Gorgon, Yuqi Sun, Haydn Francis, Richard H. Friend, Hugo Bronstein|2023|Nat.Commun.|14|4147|doi:10.1038/s41467-023-39834-2 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cpg7s&sid=DataCite
 
Title CCDC 2195366: Experimental Crystal Structure Determination 
Description Related Article: Petri Murto, Rituparno Chowdhury, Weixuan Zeng, Erjuan Guo, Sebastian Gorgon, Yuqi Sun, Haydn Francis, Richard H. Friend, Hugo Bronstein|2023|Nat.Commun.|14|4147|doi:10.1038/s41467-023-39834-2 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cpg8t&sid=DataCite
 
Title CCDC 2195367: Experimental Crystal Structure Determination 
Description Related Article: Petri Murto, Rituparno Chowdhury, Weixuan Zeng, Erjuan Guo, Sebastian Gorgon, Yuqi Sun, Haydn Francis, Richard H. Friend, Hugo Bronstein|2023|Nat.Commun.|14|4147|doi:10.1038/s41467-023-39834-2 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cpg9v&sid=DataCite
 
Title CCDC 2195368: Experimental Crystal Structure Determination 
Description Related Article: Petri Murto, Rituparno Chowdhury, Weixuan Zeng, Erjuan Guo, Sebastian Gorgon, Yuqi Sun, Haydn Francis, Richard H. Friend, Hugo Bronstein|2023|Nat.Commun.|14|4147|doi:10.1038/s41467-023-39834-2 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2cpgbw&sid=DataCite
 
Title CCDC 2236336: Experimental Crystal Structure Determination 
Description Related Article: Hwan-Hee Cho, Daniel G. Congrave, Alexander J. Gillett, Stephanie Montanaro, Haydn E. Francis, Víctor Riesgo-Gonzalez, Junzhi Ye, Rituparno Chowdury, Weixuan Zeng, Marc K. Etherington, Jeroen Royakkers, Oliver Millington, Andrew D. Bond, Felix Plasser, Jarvist M. Frost, Clare P. Grey, Akshay Rao, Richard H. Friend, Neil C. Greenham, Hugo Bronstein |2024|Nat.Mater|23|519|doi:10.1038/s41563-024-01812-4 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2f22wh&sid=DataCite
 
Title CCDC 2236337: Experimental Crystal Structure Determination 
Description Related Article: Hwan-Hee Cho, Daniel G. Congrave, Alexander J. Gillett, Stephanie Montanaro, Haydn E. Francis, Víctor Riesgo-Gonzalez, Junzhi Ye, Rituparno Chowdury, Weixuan Zeng, Marc K. Etherington, Jeroen Royakkers, Oliver Millington, Andrew D. Bond, Felix Plasser, Jarvist M. Frost, Clare P. Grey, Akshay Rao, Richard H. Friend, Neil C. Greenham, Hugo Bronstein |2024|Nat.Mater|23|519|doi:10.1038/s41563-024-01812-4 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2f22xj&sid=DataCite
 
Title CCDC 2236338: Experimental Crystal Structure Determination 
Description Related Article: Hwan-Hee Cho, Daniel G. Congrave, Alexander J. Gillett, Stephanie Montanaro, Haydn E. Francis, Víctor Riesgo-Gonzalez, Junzhi Ye, Rituparno Chowdury, Weixuan Zeng, Marc K. Etherington, Jeroen Royakkers, Oliver Millington, Andrew D. Bond, Felix Plasser, Jarvist M. Frost, Clare P. Grey, Akshay Rao, Richard H. Friend, Neil C. Greenham, Hugo Bronstein |2024|Nat.Mater|23|519|doi:10.1038/s41563-024-01812-4 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2f22yk&sid=DataCite
 
Title CCDC 2236339: Experimental Crystal Structure Determination 
Description Related Article: Hwan-Hee Cho, Daniel G. Congrave, Alexander J. Gillett, Stephanie Montanaro, Haydn E. Francis, Víctor Riesgo-Gonzalez, Junzhi Ye, Rituparno Chowdury, Weixuan Zeng, Marc K. Etherington, Jeroen Royakkers, Oliver Millington, Andrew D. Bond, Felix Plasser, Jarvist M. Frost, Clare P. Grey, Akshay Rao, Richard H. Friend, Neil C. Greenham, Hugo Bronstein |2024|Nat.Mater|23|519|doi:10.1038/s41563-024-01812-4 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2f22zl&sid=DataCite
 
Title CCDC 2282946: Experimental Crystal Structure Determination 
Description Related Article: Hwan-Hee Cho, Daniel G. Congrave, Alexander J. Gillett, Stephanie Montanaro, Haydn E. Francis, Víctor Riesgo-Gonzalez, Junzhi Ye, Rituparno Chowdury, Weixuan Zeng, Marc K. Etherington, Jeroen Royakkers, Oliver Millington, Andrew D. Bond, Felix Plasser, Jarvist M. Frost, Clare P. Grey, Akshay Rao, Richard H. Friend, Neil C. Greenham, Hugo Bronstein |2024|Nat.Mater|23|519|doi:10.1038/s41563-024-01812-4 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2gmlf4&sid=DataCite
 
Title CCDC 2305971: Experimental Crystal Structure Determination 
Description Related Article: Petri Murto, Biwen Li, Yao Fu, Lucy E. Walker, Laura Brown, Andrew D. Bond, Weixuan Zeng, Rituparno Chowdhury, Hwan-Hee Cho, Craig P. Yu, Clare P. Grey, Richard H. Friend, Hugo Bronstein|2024|J.Am.Chem.Soc.|||doi:10.1021/jacs.4c00292 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2hdk5n&sid=DataCite
 
Title Research data supporting "Mesitylated trityl radicals, a platform for doublet emission: symmetry breaking, charge-transfer states and conjugated polymers" 
Description Compressed (.zip) folder containing data from normalized photoluminescence spectra of M3TTM and M2TTM-3PCz radicals and PFMTTM polyradical in 0.1 mM toluene solutions (Fig1c.xlsx); normalized steady-state emission spectra of MxTTM radicals in 0.1 mM toluene solutions (Fig3a.xlsx) and emission kinetics in the 580-610 nm region showing rapid emission following 520 nm excitation (Fig3b.xlsx); normalized steady-state emission spectra of MxTTM radicals in 8 wt% evaporated films in CBP showing increasing emission red-shift and linewidth broadening with decreasing mesitylation (Fig.3c.xlsx) and total emission kinetics in the range of 550-880 nm following 520 nm excitation using 100 fs pulses with fluence 5 µJ cm-2 (Fig3d.xlsx), inset shows early time kinetics (Fig3dInset.xlsx); time-gated photoluminescence spectra of 8 wt% M2TTM radical in CBP film showing monomer emission at nanosecond times and exciplex emission at microsecond times (Fig3e.xlsx); dynamics of emission of MxTTM radicals in CBP films showing time dependence of peak emission wavelength (Fig3f1.xlsx) and integrated photoluminescence counts in the range of 550-880 nm (Fig3f2.xlsx); external quantum efficiency versus current density (Fig4b.xlsx) and current density-voltage-luminance characteristics of organic light-emitting diodes with M2TTM-3PCz radical as the emitter (Fig4c.xlsx); normalized photoluminescence spectrum of the light-emitting layer of 5 wt% M2TTM-3PCz doped CBP film following 405 nm excitation and normalized electroluminescence spectrum of the device at 0.2 mA cm-2 (Fig4d.xlsx); computational atomic coordinates of optimized MxTTM structures in the ground and excited states calculated at the UB3LYP(D3)/def2-SVP and UCAM-B3LYP(D3)/def2-SVP levels of theory, respectively (MxTTM_coordinates.docx). 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://www.repository.cam.ac.uk/handle/1810/353728