Multiple‐Resonance Extension and Spin‐Vibronic‐Coupling‐Based Narrowband Blue Organic Fluorescence Emitters with Over 30% Quantum Efficiency
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202202464
Abstract: Achieving narrow‐bandwidth emission and high external quantum efficiency (EQE) simultaneously is a challenge for next‐generation blue‐emitting organic light‐emitting diodes (OLEDs). In this study, novel multiple‐resonance thermally activated delayed fluorescence (MR‐TADF) emitters are developed by fusing… read more here.
Keywords: vibronic coupling; quantum efficiency; spin vibronic; multiple resonance ... See more keywords
Toward Simulation of Fe(II) Low-Spin → High-Spin Photoswitching by Synergistic Spin-Vibronic Dynamics
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c01184
Abstract: A new theoretical approach is presented and applied for the simulation of Fe(II) low-spin (LS, singlet, t2g6eg0) → high-spin (HS, quintet, t2g4eg2) photoswitching dynamics of the octahedral model complex [Fe(NCH)6]2+. The utilized synergistic methodology heavily… read more here.
Keywords: high spin; methodology; low spin; simulation low ... See more keywords
Spin-Vibronic Model for Quantitative Prediction of Reverse Inter-System Crossing Rate in Thermally Activated Delayed Fluorescence Systems.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b01014
Abstract: Computationally predicting reverse inter-system crossing (RISC) rates is important for designing new thermally activated delayed fluorescence (TADF) materials. We report a method that can quantitatively predict RISC rates by explicitly considering the spin-vibronic coupling mechanism.… read more here.
Keywords: inter system; spin; rate; spin vibronic ... See more keywords