Understanding and Designing Thermally Activated Delayed Fluorescence Emitters: Beyond the Energy Gap Approximation

Environmental Control of Triplet Emission in Donor–Bridge–Acceptor Organometallics

(2020) Jiale Feng et al.   ADVANCED FUNCTIONAL MATERIALS

U1 snRNP regulates cancer cell migration and invasion in vitro

(2020) Jung-Min Oh et al.   Nature Communications

Exciton- and Polaron-Induced Reversible Dipole Reorientation in Amorphous Organic Semiconductor Films

(2019) Chao Deng et al.   Advanced Optical Materials

Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

(2019) Anton Pershin et al.   Nature Communications

Eliminating nonradiative decay in Cu(I) emitters: >99% quantum efficiency and microsecond lifetime

(2019) Rasha Hamze et al.   SCIENCE

Excited State Intramolecular Proton Transfer Dynamics for Triplet Harvesting in Organic Molecules

(2019) Y. Cao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Utilizing a Spiro TADF Moiety as a Functional Electron Donor in TADF Molecular Design toward Efficient “Multichannel” Reverse Intersystem Crossing

(2019) Lin Gan et al.   ADVANCED FUNCTIONAL MATERIALS

Anisotropic Vapor-Deposited Glasses: Hybrid Organic Solids

(2019) M. D. Ediger et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dendritic Carbene Metal Carbazole Complexes as Photoemitters for Fully Solution-Processed OLEDs

(2019) Alexander S. Romanov et al.   CHEMISTRY OF MATERIALS

A symmetry-based design strategy for unprecedentedly fast decaying thermally activated delayed fluorescence (TADF). Application to di-nuclear Cu(I) compounds

(2019) Alexander Schinabeck et al.   CHEMISTRY OF MATERIALS

On the geometry dependence of tuned‐ranged separated hybrid functionals

(2019) Julien Eng et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ground-state Structural Disorder and Excited-state Symmetry Breaking in a Quadrupolar Molecule

(2019) Magnus Soederberg et al.   Journal of Physical Chemistry Letters

“Quick-Silver” from a Systematic Study of Highly Luminescent, Two-Coordinate, d10 Coinage Metal Complexes

(2019) Rasha Hamze et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Excited State Dynamics initiated by an Electromagnetic Field within the Variational Multi-Configurational Gaussian (vMCG) method

(2019) T.J. Penfold et al.   Computational and Theoretical Chemistry

Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model

(2019) Piotr de Silva et al.   CHEMISTRY OF MATERIALS

Narrowband deep-blue organic light-emitting diode featuring an organoboron-based emitter

(2019) Yasuhiro Kondo et al.   Nature Photonics

Singlet–Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides

(2019) Johannes Ehrmaier et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Inverted Singlet–Triplet Gaps and Their Relevance to Thermally Activated Delayed Fluorescence

(2019) Piotr de Silva   Journal of Physical Chemistry Letters

Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors

(2019) Hiroki Noda et al.   NATURE MATERIALS

Correction to “Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes”

(2019) Shuyang Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tracking multiple components of a nuclear wavepacket in photoexcited Cu(I)-phenanthroline complex using ultrafast X-ray spectroscopy

(2019) Tetsuo Katayama et al.   Nature Communications

Observation of Nonradiative Deactivation Behavior from Singlet and Triplet States of Thermally Activated Delayed Fluorescence Emitters in Solution

(2019) Naoto Notsuka et al.   Journal of Physical Chemistry Letters

Inverting singlet and triplet excited states using strong light-matter coupling

(2019) Elad Eizner et al.   Science Advances

Correction: Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence

(2018) Alexander S. Romanov et al.   CHEMICAL COMMUNICATIONS

Conformationally-flexible and moderately electron-donating units-installed D–A–D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence

(2018) Youhei Takeda et al.   CHEMICAL COMMUNICATIONS

(Deep) Blue Through-Space Conjugated TADF Emitters Based on [2.2]Paracyclophanes

(2018) Eduard Spuling et al.   CHEMICAL COMMUNICATIONS

The theory of thermally activated delayed fluorescence for organic light emitting diodes

(2018) T. J. Penfold et al.   CHEMICAL COMMUNICATIONS

Spin-Vibronic Mechanism for Intersystem Crossing

(2018) Thomas J. Penfold et al.   CHEMICAL REVIEWS

1,2,4-Triazines in the Synthesis of Bipyridine Bisphenolate ONNO Ligands and Their Highly Luminescent Tetradentate Pt(II) Complexes for Solution-Processable OLEDs

(2018) Piotr Pander et al.   INORGANIC CHEMISTRY

The intersystem crossing of a cyclic (alkyl)(amino) carbene gold (i) complex

(2018) S. Thompson et al.   JOURNAL OF CHEMICAL PHYSICS

How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations

(2018) Mátyás Pápai et al.   Journal of Chemical Theory and Computation

Effects of Ortho-Phenyl Substitution on the rISC Rate of D–A Type TADF Molecules

(2018) Heather F. Higginbotham et al.   Journal of Physical Chemistry C

Dinuclear Cu(I) Complex with Combined Bright TADF and Phosphorescence. Zero-Field Splitting and Spin–Lattice Relaxation Effects of the Triplet State

(2018) Alexander Schinabeck et al.   Journal of Physical Chemistry Letters

The intersystem crossing mechanism of an ultrapure blue organoboron emitter

(2018) T. Northey et al.   ORGANIC ELECTRONICS

Vibrational coherence transfer in the ultrafast intersystem crossing of a diplatinum complex in solution

(2018) Roberto Monni et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Highly Efficient Red-Orange Delayed Fluorescence Emitters Based on Strong π-Accepting Dibenzophenazine and Dibenzoquinoxaline Cores: toward a Rational Pure-Red OLED Design

(2018) Ryuhei Furue et al.   Advanced Optical Materials

Thermally activated delayed fluorescence with a narrow emission spectrum and organic room temperature phosphorescence by controlling spin–orbit coupling and phosphorescence lifetime of metal-free organic molecules

(2018) Piotr Pander et al.   Journal of Materials Chemistry C

Triazatruxene: A Rigid Central Donor Unit for a D-A3 Thermally Activated Delayed Fluorescence Material Exhibiting Sub-Microsecond Reverse Intersystem Crossing and Unity Quantum Yield via Multiple Singlet-Triplet State Pairs

(2018) Paloma L. dos Santos et al.   Advanced Science

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

(2018) Rafael Gómez-Bombarelli et al.   ACS Central Science

All-organic thermally activated delayed fluorescence materials for organic light-emitting diodes

(2018) Yuchao Liu et al.   Nature Reviews Materials

High-performance organic light-emitting diodes comprising ultrastable glass layers

(2018) Joan Ràfols-Ribé et al.   Science Advances

The ultrafast X-ray spectroscopic revolution in chemical dynamics

(2018) Peter M. Kraus et al.   Nature Reviews Chemistry

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Inverse molecular design using machine learning: Generative models for matter engineering

(2018) Benjamin Sanchez-Lengeling et al.   SCIENCE

The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores

(2018) Rongjuan Huang et al.   Journal of Materials Chemistry C

Kinetic Modeling of Transient Photoluminescence from Thermally Activated Delayed Fluorescence

(2018) Nils Haase et al.   Journal of Physical Chemistry C

Mononuclear Silver Complexes for Efficient Solution and Vacuum-Processed OLEDs

(2018) Alexander S. Romanov et al.   Advanced Optical Materials

Synthesis, structures and photoluminescence properties of silver complexes of cyclic (alkyl)(amino)carbenes

(2017) Alexander S. Romanov et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Rotationally Assisted Spin-State Inversion in Carbene–Metal–Amides Is an Artifact

(2017) Jelena Föller et al.   Journal of Physical Chemistry Letters

New Molecular Design Concurrently Providing Superior Pure Blue, Thermally Activated Delayed Fluorescence and Optical Out-Coupling Efficiencies

(2017) P. Rajamalli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonadiabatic coupling reduces the activation energy in thermally activated delayed fluorescence

(2017) J. Gibson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

High-performance light-emitting diodes based on carbene-metal-amides

(2017) Dawei Di et al.   SCIENCE

Coherent structural trapping through wave packet dispersion during photoinduced spin state switching

(2017) Henrik T. Lemke et al.   Nature Communications

Pure Organic Emitter with Simultaneous Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence: Thermal-Controlled Triplet Recycling Channels

(2017) Ling Yu et al.   Advanced Optical Materials

The role of solid state solvation on the charge transfer state of a thermally activated delayed fluorescence emitter

(2017) T. Northey et al.   Journal of Materials Chemistry C

An Alternative Host Material for Long-Lifespan Blue Organic Light-Emitting Diodes Using Thermally Activated Delayed Fluorescence

(2017) Soo-Ghang Ihn et al.   Advanced Science

Photophysics of thermally activated delayed fluorescence molecules

(2017) Fernando B Dias et al.   Methods and Applications in Fluorescence

Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System

(2017) Masashi Mamada et al.   ACS Central Science

Ultrapure Blue Thermally Activated Delayed Fluorescence Molecules: Efficient HOMO-LUMO Separation by the Multiple Resonance Effect

(2016) Takuji Hatakeyama et al.   ADVANCED MATERIALS

Crystal Organic Light-Emitting Diodes with Perfectly Oriented Non-Doped Pt-Based Emitting Layer

(2016) Kwon-Hyeon Kim et al.   ADVANCED MATERIALS

Electroluminescence from completely horizontally oriented dye molecules

(2016) Takeshi Komino et al.   APPLIED PHYSICS LETTERS

The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor–acceptor charge-transfer molecules

(2016) Jonathan S. Ward et al.   CHEMICAL COMMUNICATIONS

Donor Interlocked Molecular Design for Fluorescence-like Narrow Emission in Deep Blue Thermally Activated Delayed Fluorescent Emitters

(2016) Yong Joo Cho et al.   CHEMISTRY OF MATERIALS

Luminescent Gold(III) Thiolates: Supramolecular Interactions Trigger and Control Switchable Photoemissions from Bimolecular Excited States

(2016) Lucy Currie et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules

(2016) Jamie Gibson et al.   CHEMPHYSCHEM

Supramolecular Structure-Dependent Thermally-Activated Delayed Fluorescence (TADF) Properties of Organic Polymorphs

(2016) Yuewei Zhang et al.   Journal of Physical Chemistry C

Kinetic Criteria for Optimal Thermally Activated Delayed Fluorescence in Photoluminescence and in Electroluminescence

(2016) Tiago Palmeira et al.   Journal of Physical Chemistry C

Charge Recombination in Phosphorescent Organic Light-Emitting Diode Host–Guest Systems through QM/MM Simulations

(2016) Tianyu Zhu et al.   Journal of Physical Chemistry C

Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence

(2016) Marc K. Etherington et al.   Nature Communications

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

(2016) Roberto S. Nobuyasu et al.   Advanced Optical Materials

The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices

(2016) Fernando B. Dias et al.   Advanced Science

Ultrafast Excited-State Dynamics of Copper(I) Complexes

(2015) Munetaka Iwamura et al.   ACCOUNTS OF CHEMICAL RESEARCH

Bridging the Efficiency Gap: Fully Bridged Dinuclear Cu(I)-Complexes for Singlet Harvesting in High-Efficiency OLEDs

(2015) Daniel Volz et al.   ADVANCED MATERIALS

Synthesis and luminescence modulation of pyrazine-based gold(iii) pincer complexes

(2015) Julio Fernandez-Cestau et al.   CHEMICAL COMMUNICATIONS

From iridium and platinum to copper and carbon: new avenues for more sustainability in organic light-emitting diodes

(2015) D. Volz et al.   GREEN CHEMISTRY

Simulated evolution of fluorophores for light emitting diodes

(2015) Yinan Shu et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanism of Intersystem Crossing of Thermally Activated Delayed Fluorescence Molecules

(2015) Toshinari Ogiwara et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On Predicting the Excited-State Properties of Thermally Activated Delayed Fluorescence Emitters

(2015) Thomas J. Penfold   Journal of Physical Chemistry C

Degradation Mechanisms of Organic Light-Emitting Diodes Based on Thermally Activated Delayed Fluorescence Molecules

(2015) Atula S. D. Sandanayaka et al.   Journal of Physical Chemistry C

Highly Efficient Luminescence of Cu(I) Compounds: Thermally Activated Delayed Fluorescence Combined with Short-Lived Phosphorescence

(2015) Thomas Hofbeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sub-50-fs photoinduced spin crossover in [Fe(bpy)3]2+

(2015) Gerald Auböck et al.   Nature Chemistry

Evidence for conical intersection dynamics mediating ultrafast singlet exciton fission

(2015) Andrew J. Musser et al.   Nature Physics

Charge carrier dynamics and degradation phenomena in organic light-emitting diodes doped by a thermally activated delayed fluorescence emitter

(2015) Yutaka Noguchi et al.   ORGANIC ELECTRONICS

Gold(I) and Gold(III) Complexes of Cyclic (Alkyl)(amino)carbenes

(2015) Alexander S. Romanov et al.   ORGANOMETALLICS

Kinetics of thermal-assisted delayed fluorescence in blue organic emitters with large singlet-triplet energy gap

(2015) F. B. Dias   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Electron dynamics following photoionization: Decoherence due to the nuclear-wave-packet width

(2015) Morgane Vacher et al.   PHYSICAL REVIEW A

Generating Light from Upper Excited Triplet States: A Contribution to the Indirect Singlet Yield of a Polymer OLED, Helping to Exceed the 25% Singlet Exciton Limit

(2015) Vygintas Jankus et al.   Advanced Science

Bright Coppertunities: Multinuclear CuIComplexes with N-P Ligands and Their Applications

(2014) Manuela Wallesch et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Vibronic Coupling Hamiltonian to Describe the Ultrafast Excited State Dynamics of a Cu(I)-Phenanthroline Complex

(2014) Gloria Capano et al.   CHIMIA

Third-generation organic electroluminescence materials

(2014) Chihaya Adachi   JAPANESE JOURNAL OF APPLIED PHYSICS

Derivation of spin-orbit couplings in collinear linear-response TDDFT: A rigorous formulation

(2014) Felipe Franco de Carvalho et al.   JOURNAL OF CHEMICAL PHYSICS

Chimeric Behavior of Excited Thioxanthone in Protic Solvents: I. Experiments

(2014) T. Villnow et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Chimeric Behavior of Excited Thioxanthone in Protic Solvents: II. Theory

(2014) Vidisha Rai-Constapel et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Quantum Dynamics Study of the Ultrafast Relaxation in a Prototypical Cu(I)–Phenanthroline

(2014) G. Capano et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct Observation of Ultrafast Excimer Formation in Covalent Perylenediimide Dimers Using Near-Infrared Transient Absorption Spectroscopy

(2014) Kristen E. Brown et al.   Journal of Physical Chemistry Letters

Anthraquinone-Based Intramolecular Charge-Transfer Compounds: Computational Molecular Design, Thermally Activated Delayed Fluorescence, and Highly Efficient Red Electroluminescence

(2014) Qisheng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tracking excited-state charge and spin dynamics in iron coordination complexes

(2014) Wenkai Zhang et al.   NATURE

Efficient blue organic light-emitting diodes employing thermally activated delayed fluorescence

(2014) Qisheng Zhang et al.   Nature Photonics

Solid state lighting review – Potential and challenges in Europe

(2014) Aníbal De Almeida et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

High-efficiency organic light-emitting diodes with fluorescent emitters

(2014) Hajime Nakanotani et al.   Nature Communications

Photooxidation and photoaquation of iron hexacyanide in aqueous solution: A picosecond X-ray absorption study

(2014) M. Reinhard et al.   Structural Dynamics

Employing ∼100% Excitons in OLEDs by Utilizing a Fluorescent Molecule with Hybridized Local and Charge-Transfer Excited State

(2013) Weijun Li et al.   ADVANCED FUNCTIONAL MATERIALS

Chemical Degradation in Organic Light-Emitting Devices: Mechanisms and Implications for the Design of New Materials

(2013) Susanna Schmidbauer et al.   ADVANCED MATERIALS

Triplet Harvesting with 100% Efficiency by Way of Thermally Activated Delayed Fluorescence in Charge Transfer OLED Emitters

(2013) Fernando B. Dias et al.   ADVANCED MATERIALS

Pseudo-Jahn–Teller Effect—A Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids

(2013) Isaac B. Bersuker   CHEMICAL REVIEWS

Estimation of the size of drug-like chemical space based on GDB-17 data

(2013) P. G. Polishchuk et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Solvent Effect on Thermally Activated Delayed Fluorescence by 1,2,3,5-Tetrakis(carbazol-9-yl)-4,6-dicyanobenzene

(2013) Ryoichi Ishimatsu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ultrafast Charge Separation in Organic Photovoltaics Enhanced by Charge Delocalization and Vibronically Hot Exciton Dissociation

(2013) Hiroyuki Tamura et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ultrastable glasses from in silico vapour deposition

(2013) Sadanand Singh et al.   NATURE MATERIALS

Substituent effect on the photoinduced structural change of Cu(i) complexes observed by femtosecond emission spectroscopy

(2013) Munetaka Iwamura et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Twisting Donor-Acceptor Molecule with an Intercrossed Excited State for Highly Efficient, Deep-Blue Electroluminescence

(2012) Weijun Li et al.   ADVANCED FUNCTIONAL MATERIALS

Efficient luminescence from a copper(i) complex doped in organic light-emitting diodes by suppressing C–H vibrational quenching

(2012) Atsushi Wada et al.   CHEMICAL COMMUNICATIONS

Efficient green thermally activated delayed fluorescence (TADF) from a phenoxazine–triphenyltriazine (PXZ–TRZ) derivative

(2012) Hiroyuki Tanaka et al.   CHEMICAL COMMUNICATIONS

On the interplay between charge, spin and structural dynamics in transition metal complexes

(2012) Majed Chergui   DALTON TRANSACTIONS

Perspective: Supercooled liquids and glasses

(2012) M. D. Ediger et al.   JOURNAL OF CHEMICAL PHYSICS

Design of Efficient Thermally Activated Delayed Fluorescence Materials for Pure Blue Organic Light Emitting Diodes

(2012) Qisheng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A femtosecond fluorescence study of vibrational relaxation and cooling dynamics of UV dyes

(2012) Olivier Braem et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pump-Probe Spectroscopy in Organic Semiconductors: Monitoring Fundamental Processes of Relevance in Optoelectronics

(2011) Juan Cabanillas-Gonzalez et al.   ADVANCED MATERIALS

Probing the Transition from Hydrophilic to Hydrophobic Solvation with Atomic Scale Resolution

(2011) Van-Thai Pham et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Increased light outcoupling efficiency in dye-doped small molecule organic light-emitting diodes with horizontally oriented emitters

(2011) Jörg Frischeisen et al.   ORGANIC ELECTRONICS

Vibrational Relaxation and Intersystem Crossing of Binuclear Metal Complexes in Solution

(2010) Renske M. van der Veen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermally Activated Delayed Fluorescence from Sn4+-Porphyrin Complexes and Their Application to Organic Light Emitting Diodes - A Novel Mechanism for Electroluminescence

(2009) Ayataka Endo et al.   ADVANCED MATERIALS

Highly Efficient Blue-Emitting Iridium(III) Carbene Complexes and Phosphorescent OLEDs

(2008) Chiung-Fang Chang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Horizontal orientation of linear-shaped organic molecules having bulky substituents in neat and doped vacuum-deposited amorphous films

(2008) D YOKOYAMA et al.   ORGANIC ELECTRONICS