ESPRC-JSPS Core-to-Core Grant Application

Lead Research Organisation: University of St Andrews
Department Name: Physics and Astronomy

Abstract

The Center for Organic Photonics and Electronics Research at Kyushu University (OPERA) recently achieved the creation of materials exhibiting highly efficient thermally activated delayed fluorescence (TADF). The new materials, based on relatively simple aromatic organic compounds, can efficiently convert triplet excitons into singlet excitons and are quickly finding application in photonic devices such as organic light-emitting diodes (OLEDs). From a fundamental photochemistry
and photophysics point of view, deeper understanding of this unique mechanism for highly efficient intersystem crossing without the need for rare metals is strongly desired.

Through this research program, cooperative research with Prof. IDW Samuel, who has expertise including ultrafast spectroscopy, Prof GA Turnbull, who has expertise in organic lasers and chemical sensors, Prof MC Gather, whose expertise includes molecular orientation, light outcoupling efficiency and use of OLEDs for biophotonics, and Dr. E Zysman-Colman, who has expertise in the synthesis of luminophores for solid-state lighting (including TADF emitters), of the University of St. Andrews (with support from EPSRC) and Prof. H Yersin of the University of Regensburg, who has expertise in organometallic TADF emitters (with support from BMBF) will be undertaken. The groups of Dr. Fabrice Mathevet (UPMC, France) with support from the CNRS and Prof. Ebinazar Namdas (University of Queensland, Australia) with support from the Australian Research Council will also be integrated into the international consortium investigating TADF emitters. This cooperative research program will focus on basic research of molecular design based on quantum chemical calculations and ultrafast photophysics analysis while also tackling device development and analysis. Through the cooperation of physicists and chemists from Japan, the UK and Germany, knowledge of optical and device properties will feed back into molecular design, and through rapid cycles of this process, new organic-semiconductor devices will be created while also developing the human resources to drive the next generation of organic optoelectronics. To promote collaboration and deepen research discussion, monthly research meetings will be held via video conferences along with semi-annual visits by researchers to participating organizations. (2) Each year, a research workshop will be held, with the three participating countries rotating as host each year, and around 10 researchers from each country will gather for a lively research discussion. (3) Moreover, the exchange of people and ideas will proceed through the sending of researchers (graduate students, post-docs, and/or assistant professors) to the participating organizations for periods of 3 to 6 months.

Furthermore, OPERA, through its connections with Fukuoka prefecture and city and its proximity to Kyushu University campus, has planned collaborations with i3-OPERA (a center for the development of organic optoelectronics for practical applications) and ISIT (The Institute of Systems, Information Technologies and Nanotechnologies) and is advancing research ranging from basic to applied with an organic optoelectronics development team formed through industrygovernment-
academia collaborations. This program will at the same time help to establish these organizations internationally, with Kyushu University at the center. In addition to the mentioned cooperative research, with regards to realizing devices, investigations into solution processing, which is highly desired, and the control of the orientation of TADF molecules will be performed. Moreover, the use of TADF for light amplification and in brand new applications will be explored, and the future possibility for electrically-pumped organic-semiconductor lasers and TADF-based photocatalysts unlocked.

Planned Impact

Academic and industrial researchers working in the area of OLEDs, and more widely in the lighting and display sectors, will derive immediate benefit from this work. As this technology has the potential to revolutionize lighting and displays through the use of cheap, energy-efficient and environmentally benign emitters, society as whole will reap important benefits as well. Evidently, the PDRAs supported on this project will also benefit tangibly from a unique and multinational training
environment.

Already in the UK there is a well-developed community of industry in the area of solid-state lighting. These include companies such as Thorn Lighting (lighting design), Cambridge Display Technology (emissive materials), Pilkington Glass and Dupont Teijin Films (substrates) and CTI (electrodes). These companies currently rely on first- or second generation lighting materials for their devices. Commercial success in solid-state lighting relies on the use of cheap, stable and bright materials, which through this grant we propose to make. The incorporation of these materials into next-generation OLEDs will lead to important reductions in manufacturing costs in this rapidly emerging high-technology sector. This grant will also permit the UK to maintain its position as a leader in the area of solid-state lighting.

According to the US Department of Energy, 1/3 of commercial electricity use and 10% of household electricity consumption in the United States alone is dedicated towards artificial lighting. Worldwide, 20% of energy output is linked to lighting, which corresponds to 7% of global CO2 emissions. The UK is committed to an 80% reduction in greenhouse gas emissions by 2050 relative to 1990 levels. These targets can be realized through the wide-scale adoption of energy-efficient technologies, such as the proposed energy-efficient lighting an displays that are the primary targets of this grant.

Publications

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Brown PE (2023) Distinguishing Electron Diffusion and Extraction in Methylammonium Lead Iodide. in The journal of physical chemistry letters

 
Description We have advanced the design, measurement and realisation of efficient light-emitting materials.
Of particular note is an important joint paper between the St Adnrews and Japanese teams allowing precise determination of a key parameter for efficient organic light-emitting diodes.
Exploitation Route The research can help to make more efficient organic light-emitting diodes for use in displays, lighting, and communications.
Sectors Digital/Communication/Information Technologies (including Software),Energy

 
Description Our work has led to an important publication that will be important across the photophysics, photochemistry and organic semiconductor communities about how to determine the rate of reverse intersystem crossing without assumptions. This will assist the development of OLED materials for efficient displays and lighting.
First Year Of Impact 2022
Sector Digital/Communication/Information Technologies (including Software),Energy
 
Title 1,3,4-Oxadiazole-based Deep-blue Thermally Activated Delayed Fluorescence Emitters for Organic Light Emitting Diodes (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2019 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/134oxadiazolebased-deepblue-thermally-activated-d...
 
Title A Luminescent 1D Silver Polymer Containing [2.2]Paracyclophane Ligands (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/a-luminescent-1d-silver-polymer-containing-22para...
 
Title Bipyridine-containing Host Materials for High Performance Yellow Thermally Activated Delayed Fluorescence-based Organic Light Emitting Diodes with Very Low Efficiency Roll-Off (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2019 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/bipyridinecontaining-host-materials-for-high-perf...
 
Title Circularly polarized-thermally activated delayed fluorescent materials based on chiral bicarbazole donors (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/circularly-polarizedthermally-activated-delayed-f...
 
Title Conjugation-Modulated Excitonic Coupling Brightens Multiple Triplet Excited States (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/conjugationmodulated-excitonic-coupling-brightens...
 
Title Data underpinning Wenbo Li's thesis 
Description The data files are embargoed until 03/03/2023 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/data-underpinning-wenbo-lis-thesis(24c82e40-099d-...
 
Title Donor Influence on the Optoelectronic Properties of N-Substituted Tetraphenylimidazole Derivatives (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/donor-influence-on-the-optoelectronic-properties-...
 
Title Evaluation of two- and three-coordinate copper (I) NHC complexes as photocatalysts (thesis data) 
Description The following file types and formats are included: X-ray diffraction files: .res and .fcf files (proprietary format), .cif files (can be opened with Mercury) and .png or .tif files Cyclic voltammetry and differential pulse voltammetry files: .ici and .icw files (proprietary format) and .ocw files (can be opened with a text editor) along with .xml files UV-Vis spectroscopy files: .jws and .vbsl (proprietary format) and .txt (can be opened with a text editor) Emission spectroscopy: .fl files (proprietary format), .txt files (can be opened with a text editor) and .opju files (can be opened using Origin) 1H, 13C and 19F NMR spectroscopy files: .mnova (proprietary format) HRMS files: .pdf files (can be opened with a text editor) DFT and TD-DFT files: .orbs (proprietary format), .fchk, .chk, .gjf, .log files (can be opened with a text editor), .xyz file, .csv files (can be opened in Microsoft Excel) The data files are embargoed until 18/01/2025 
Type Of Material Database/Collection of data 
Year Produced 2025 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/evaluation-of-two-and-threecoordinate-copper-i-nh...
 
Title Exact Solution of Kinetic Analysis for Thermally Activated Delayed Fluorescence Materials (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/exact-solution-of-kinetic-analysis-for-thermally-...
 
Title Fast Delayed Emission in New Pyridazine-based Compounds (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/fast-delayed-emission-in-new-pyridazinebased-comp...
 
Title High-Triplet-Energy Bipolar Host Materials Based on Phosphine Oxide Derivatives for Efficient Sky- Blue Thermally Activated Delayed Fluorescence Organic Light-Emitting Diodes with Reduced Roll-off (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2019 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/hightripletenergy-bipolar-host-materials-based-on...
 
Title Luminescent Dinuclear Copper(I) Complexes Bearing An Imidazolylpyrimidine Bridging Ligand (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk:443/portal/en/datasets/luminescent-dinuclear-copperi-complexes-beari...
 
Title Molecular Design and Synthesis of Dicarbazolophane-Based Centrosymmetric through-Space Donors for Solution-Processed Thermally Activated Delayed Fluorescence OLEDs (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/molecular-design-and-synthesis-of-dicarbazolophan...
 
Title Organic Long Persistent Luminescence from a Thermally Activated Delayed Fluorescence Compound (dataset) 
Description Organic long persistent luminescence (OLPL) is one of the most promising methods for longlived emission applications. However, present room-temperature OLPL emitters are mainly based on a bi-molecular exciplex system which usually needs an expensive small molecule such as PPT as the acceptor. In this study, we designed a new TADF compound, CzPhAP, which also shows OLPL in many well-known hosts such as PPT, TPBi and PMMA, without any exciplex formation and its OLPL duration reached more than 1 hour at room temperature. Combining the low cost of PMMA manufacture and flexible designs of TADF molecules, pure organic, large scale, color tunable and low-cost room temperature OLPL applications become possible. Moreover, we found that the onset of the 77 K afterglow spectra from a TADF emitter doped film is not necessarily reliable for determining the lowest triplet state (T1) energy level. This is because in some TADF emitter doped films, optical excitation can generate charges (electron and holes) that can later recombine to form singlet excitons during the phosphorescence spectrum measurement. The spectrum taken in the phosphorescence time window at low temperature may consequently consist of both singlet and triplet emission 
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk:443/portal/en/datasets/organic-long-persistent-luminescence-from-a-t...
 
Title Physical and Photophysical Properties of a Linear copper(I) Complex of a Bulky Acenapthene-based NHC Ligand (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2020 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/physical-and-photophysical-properties-of-a-linear...
 
Title Planar and rigid pyrazine based TADF emitter for deep blue bright organic light emitting diodes (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/planar-and-rigid-pyrazine-based-tadf-emitter-for-...
 
Title Reducing Efficiency Roll-off in Multi-Resonant Thermally Activated Delayed Fluorescent OLEDs Through Modulation of the Energy of the T2 State (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/reducing-efficiency-rolloff-in-multiresonant-ther...
 
Title The use of Pyrimidine and Pyrazine Bridges as a Design Strategy to Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2019 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/the-use-of-pyrimidine-and-pyrazine-bridges-as-a-d...
 
Title Two Boron Atoms versus One: High-performance Deep-blue Multiresonance Thermally Activated Delayed Fluorescence Emitters (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/two-boron-atoms-versus-one-highperformance-deepbl...
 
Title Wide Bite Angle Disphosphine Ligands in Thermally Activated Delayed Fluorescent Copper(I) Complexes: Impact on the Performance of Electroluminescence Applications (dataset) 
Description  
Type Of Material Database/Collection of data 
Year Produced 2021 
Provided To Others? Yes  
URL https://risweb.st-andrews.ac.uk/portal/en/datasets/wide-bite-angle-disphosphine-ligands-in-thermally...