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Constructing high-performance TADF polymers from non-TADF monomers: a computational investigation

https://doi.org/10.1039/d2cp01698b
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Thermally Activated Delayed Fluorescence Conjugated Polymers with Backbone‐Donor/Pendant‐Acceptor Architecture for Nondoped OLEDs with High External Quantum Efficiency and Low Roll‐Off
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Intramolecular‐Locked High Efficiency Ultrapure Violet‐Blue (CIE‐y <0.046) Thermally Activated Delayed Fluorescence Emitters Exhibiting Amplified Spontaneous Emission
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Thermally Activated Delayed Fluorescence Materials Towards the Breakthrough of Organoelectronics
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Thermally Activated Delayed Fluorescence Polymers for Efficient Solution‐Processed Organic Light‐Emitting Diodes
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Inheriting the Characteristics of TADF Small Molecule by Side‐Chain Engineering Strategy to Enable Bluish‐Green Polymers with High PLQYs up to 74% and External Quantum Efficiency over 16% in Light‐Emitting Diodes
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Highly Efficient Deep‐Blue OLEDs using a TADF Emitter with a Narrow Emission Spectrum and High Horizontal Emitting Dipole Ratio
inferredcites →https://doi.org/10.1002/adma.202100652openalex-snapshot
Highly Efficient Electroluminescence from Narrowband Green Circularly Polarized Multiple Resonance Thermally Activated Delayed Fluorescence Enantiomers
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Rational Design of TADF Polymers Using a Donor–Acceptor Monomer with Enhanced TADF Efficiency Induced by the Energy Alignment of Charge Transfer and Local Triplet Excited States
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Recent Advances in Solid‐State Lighting Devices Using Transition Metal Complexes Exhibiting Thermally Activated Delayed Fluorescent Emission Mechanism
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Narrowband Emission from Organic Fluorescent Emitters with Dominant Low‐Frequency Vibronic Coupling
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Investigating HOMO Energy Levels of Terminal Emitters for Realizing High‐Brightness and Stable TADF‐Assisted Fluorescence Organic Light‐Emitting Diodes
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Meta Junction Promoting Efficient Thermally Activated Delayed Fluorescence in Donor‐Acceptor Conjugated Polymers
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Through‐Space Charge‐Transfer Polynorbornenes with Fixed and Controllable Spatial Alignment of Donor and Acceptor for High‐Efficiency Blue Thermally Activated Delayed Fluorescence
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cis‐Quinacridone‐Based Delayed Fluorescence Emitters: Seemingly Old but Renewed Functional Luminogens
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Indolo[3,2,1‐ jk ]carbazole Embedded Multiple‐Resonance Fluorophors for Narrowband Deep‐blue Electroluminescence with EQE≈34.7 % and CIE y ≈0.085
inferredcites →https://doi.org/10.1002/asia.201801813openalex-snapshot
Effect of a Pendant Acceptor on Thermally Activated Delayed Fluorescence Properties of Conjugated Polymers with Backbone‐Donor/Pendant‐Acceptor Architecture
inferredcites →https://doi.org/10.1002/cphc.201600662openalex-snapshot
The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules
inferredcites →https://doi.org/10.1002/jcc.22885openalex-snapshot
Multiwfn: A multifunctional wavefunction analyzer
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Natural transition orbitals for complex two‐component excited state calculations
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Small polaron model of the electron motion in organic molecular crystals
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Application of the natural transition orbital (NTO) method to excited states
inferredcites →https://doi.org/10.1016/0263-7855(96)00018-5openalex-snapshot
VMD: Visual molecular dynamics
inferredcites →https://doi.org/10.1016/j.carbon.2020.05.023openalex-snapshot
An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearity
inferredcites →https://doi.org/10.1016/j.cej.2021.129097openalex-snapshot
A novel molecular design featuring the conversion of inefficient TADF emitters into efficient TADF emitters for deep-blue organic light emitting diodes
inferredcites →https://doi.org/10.1016/j.dyepig.2015.12.030openalex-snapshot
Computational design of benzo [1,2-b:4,5-b′] dithiophene based thermally activated delayed fluorescent materials
inferredcites →https://doi.org/10.1016/j.orgel.2018.05.058openalex-snapshot
Red thermally activated delayed fluorescence polymers containing 9H-thioxanthen-9-one-10,10-dioxide acceptor group as pendant or incorporated in backbone
inferredcites →https://doi.org/10.1021/acs.accounts.8b00174openalex-snapshot
Thermally Activated Delayed Fluorescence (TADF) Path toward Efficient Electroluminescence in Purely Organic Materials: Molecular Level Insight
inferredcites →https://doi.org/10.1021/acs.chemmater.0c01363openalex-snapshot
Carbene–Metal–Amide Polycrystalline Materials Feature Blue Shifted Energy yet Unchanged Kinetics of Emission
inferredcites →https://doi.org/10.1021/acs.jctc.0c00296openalex-snapshot
General Density-Based Index to Analyze Charge Transfer Phenomena: From Models to Butterfly Molecules
inferredcites →https://doi.org/10.1021/acs.jctc.0c00635openalex-snapshot
Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile
inferredcites →https://doi.org/10.1021/acs.jpca.0c06440openalex-snapshot
In-Depth Ab Initio Study of Thermally Activated Delayed Fluorescence in 4,5-Di(9H-carbazol-9-yl)-phthalonitrile
inferredcites →https://doi.org/10.1021/acs.jpca.0c09767openalex-snapshot
Theoretical Characterizations of TADF Materials: Roles of ΔG and the Singlet–Triplet Excited States Interconversion
inferredcites →https://doi.org/10.1021/acs.jpcc.6b02138openalex-snapshot
Simple Extrapolation Method To Predict the Electronic Structure of Conjugated Polymers from Calculations on Oligomers
inferredcites →https://doi.org/10.1021/acs.jpcc.9b01896openalex-snapshot
Toward an Accurate Description of Thermally Activated Delayed Fluorescence: Equal Importance of Electronic and Geometric Factors
inferredcites →https://doi.org/10.1021/acs.jpclett.1c00094openalex-snapshot
Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies
inferredcites →https://doi.org/10.1021/acs.jpclett.7b00157openalex-snapshot
Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory
inferredcites →https://doi.org/10.1021/acsomega.8b03296openalex-snapshot
Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy
inferredcites →https://doi.org/10.1021/cr200107zopenalex-snapshot
Challenges for Density Functional Theory
inferredcites →https://doi.org/10.1021/ct400415ropenalex-snapshot
Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds
inferredcites →https://doi.org/10.1021/ct500400sopenalex-snapshot
New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge
inferredcites →https://doi.org/10.1021/ja8017797openalex-snapshot
Polarization Energies in Oligoacene Semiconductor Crystals
inferredcites →https://doi.org/10.1021/jacs.7b10257openalex-snapshot
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inferredcites →https://doi.org/10.1038/ncomms13680openalex-snapshot
Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence
inferredcites →https://doi.org/10.1038/s41467-020-15558-5openalex-snapshot
Nanosecond-time-scale delayed fluorescence molecule for deep-blue OLEDs with small efficiency rolloff
inferredcites →https://doi.org/10.1038/s41563-020-0710-zopenalex-snapshot
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inferredcites →https://doi.org/10.1038/srep10923openalex-snapshot
Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach
inferredcites →https://doi.org/10.1039/b508541aopenalex-snapshot
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
inferredcites →https://doi.org/10.1039/c000677gopenalex-snapshot
Extending the reliability and applicability of B3LYP
inferredcites →https://doi.org/10.1039/c4tc01264jopenalex-snapshot
Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers
inferredcites →https://doi.org/10.1039/c5cc09797eopenalex-snapshot
Creating a thermally activated delayed fluorescence channel in a single polymer system to enhance exciton utilization efficiency for bluish-green electroluminescence
inferredcites →https://doi.org/10.1039/c7tc04994copenalex-snapshot
Efficient non-doped yellow OLEDs based on thermally activated delayed fluorescence conjugated polymers with an acridine/carbazole donor backbone and triphenyltriazine acceptor pendant
inferredcites →https://doi.org/10.1039/c8cc04594aopenalex-snapshot
(Deep) blue through-space conjugated TADF emitters based on [2.2]paracyclophanes
inferredcites →https://doi.org/10.1039/c8cp01792aopenalex-snapshot
Modeling TADF in organic emitters requires a careful consideration of the environment and going beyond the Franck–Condon approximation
inferredcites →https://doi.org/10.1039/c9tc03152aopenalex-snapshot
Predicting intersystem crossing efficiencies of organic molecules for efficient thermally activated delayed fluorescence
inferredcites →https://doi.org/10.1039/d0tc02682dopenalex-snapshot
Recent progress of narrowband TADF emitters and their applications in OLEDs
inferredcites →https://doi.org/10.1039/d1cp03792gopenalex-snapshot
The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push–pull chromophores
inferredcites →https://doi.org/10.1039/d1cs00198aopenalex-snapshot
Organic thermally activated delayed fluorescence (TADF) compounds used in photocatalysis
inferredcites →https://doi.org/10.1039/d2cp01147fopenalex-snapshot
Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter
inferredcites →https://doi.org/10.1063/1.5143076openalex-snapshot
TheoDORE: A toolbox for a detailed and automated analysis of electronic excited state computations
inferredcites →https://doi.org/10.1088/2050-6120/aa537eopenalex-snapshot
Photophysics of thermally activated delayed fluorescence molecules
inferredcites →https://doi.org/10.1103/physrevlett.100.146401openalex-snapshot
Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4648204openalex-extracted
inferred← citeshttps://doi.org/10.1016/j.dyepig.2023.111927openalex-snapshot
Visible-light excitable thermally activated delayed fluorescence from hydrogen-bonded D-A aromatic N-heterocycle/polymer material and the application for anti-counterfeiting
inferred← citeshttps://doi.org/10.1016/j.jlumin.2023.119966openalex-snapshot
Turning the energy channel of side-chain TADF polymers by monomer optimization for high-efficiency solution-processed white OLEDs
inferred← citeshttps://doi.org/10.1016/j.polymer.2023.126316openalex-snapshot
Solution-processable thermally activated delayed fluorescence red emitters poly(carbazole-fluorene) containing naphthalene imide units
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c02033openalex-snapshot
Key Role of Electronic and Structural Properties in Regulating Intersystem Crossing: An In-Depth Investigation on Naphthalene-Diimide Triads for Thermally Activated Delayed Fluorescence Applications
inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c02175openalex-snapshot
Manipulating Multiple Resonance-Charge Transfer Hybrid Proportion for Developing Red Narrowband Thermally Activated Delayed Fluorescence Materials
inferred← citeshttps://doi.org/10.1080/00268976.2022.2156404openalex-snapshot
Theoretical insights on the luminescent mechanism of a highly efficient green-activated delayed fluorescence emitter using the QM/MM method
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