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Tailoring π-Frameworks of Carbonyl/Nitrogen MR-TADF Emitters By Smart Embedding of Carbazole and Pyrene for Advanced Optoelectronics

Implementing Organization

Indian Institute Of Technology Roorkee
Principal Investigator
Prof. K R JustinThomas
Indian Institute Of Technology Roorkee
krjt8fcy@iitr.ac.in

Project Overview

The advent of multi-resonant thermally activated delayed fluorescence (MR-TADF) has revolutionized the design of organic light-emitting diode (OLED) materials by enabling narrowband emission with high efficiency. Among these, carbonyl–nitrogen (C=O/N)-based MR-TADF systems have emerged as promising candidates owing to their intrinsic resonance character, rigid scaffolds, and synthetic accessibility. However, the current design paradigms often rely on limited π-systems and lack diversity in core architecture, restricting the scope for emission tunability and further performance enhancement. In this project, we propose a systematic design and development of C=O/N-based MR-TADF emitters by integrating carbazole and polyaromatic fragments such as fluorene, phenanthrene, pyrene, naphthalimide, coumarin, fluorenone, etc. into the MR core. This strategy aims to extend conjugation, modulate short-range charge transfer (SRCT) characteristics, and fine-tune the donor–acceptor interactions, leading to better control over excited-state dynamics, ΔEST reduction, and enhanced RISC rates. By engineering both the core and periphery through fusion, substitution, and locking strategies, we seek to develop colour-pure, high-efficiency emitters with emissions ranging from deep blue to red. The proposed work will combine DFT/TDDFT-based theoretical screening, modular organic synthesis, comprehensive photophysical and electrochemical characterization, and OLED device fabrication to evaluate structure–property–function relationships. The project is expected to generate a library of MR-TADF materials with tunable photophysical properties, address key limitations of existing MR emitters (e.g., slow RISC, efficiency roll-off), and contribute significantly to the development of next-generation display and lighting technologies. By harnessing rational molecular design and advanced characterization, this project aligns with India's growing thrust on self-reliant energy-efficient optoelectronics and offers strong potential for high-impact publications and translational research outcomes.
Funding Organization
Quick Information
Area of Research
Chemical Sciences
Focus Area
Organic Chemistry
Start Date
14 Mar 2026
End Date
13 Mar 2031
Status
ongoing
Output
No. of Research Paper
00
Technologies (If Any)
00
No. of PhD Produced
00
Publications
00
No. of Patents
Filed : 00
Grant : 00
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