Understanding TADF: a joint experimental and theoretical study of DMAC-TRZ

文献情報

出版日 2020-12-14

DOI 10.1039/D0CP05982J

インパクトファクター 3.676

著者

Rama Dhali, D. K. Andrea Phan Huu, Francesco Bertocchi, Cristina Sissa, Francesca Terenziani, Anna Painelli

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要旨

Thermally-activated delayed fluorescence (TADF) is a promising strategy to harvest triplets in OLED towards improved efficiency, but several issues must be addressed to fully exploit its potential, including the nature of involved excited singlet and triplet states and their response to the local environment in order to concurrently optimize the dye inside the matrix. Towards this ambitious aim, we present an extensive spectroscopic study of a typical TADF dye in liquid and glassy solvents. TD-DFT results for the same molecule in gas-phase and under an applied electric field are exploited to build a reliable model for the dye, rigorously validated against experiment. The model, accounting for charge transfer and local singlet and triplet states, spin–orbit coupling, conformational and vibrational degrees of freedom, sets the basis for a sound understanding of the photophysics of TADF dyes in different environments. The charge-transfer nature of the fluorescent state and of the almost degenerate phosphorescent state is unambiguously demonstrated. The concurrent role played by conformational degrees of freedom and the matrix polarizability in governing TADF is addressed.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Understanding TADF: a joint experimental and theoretical study of DMAC-TRZ

文献情報

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掲載誌

Physical Chemistry Chemical Physics

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