Aggregation-Enhanced Thermally Activated Delayed Fluorescence Efficiency for Two-Coordinate Carbene–Metal–Amide Complexes: A QM/MM Study

Enhancement of the Luminescent Efficiency in Carbene-Au(I)-Aryl Complexes by the Restriction of Renner–Teller Distortion and Bond Rotation

(2020) Tian-yi Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2020) Julien Eng et al.   CHEMICAL RECORD

Carbene–Metal–Amide Polycrystalline Materials Feature Blue Shifted Energy yet Unchanged Kinetics of Emission

(2020) Jiale Feng et al.   CHEMISTRY OF MATERIALS

Highly efficient blue organic light-emitting diodes based on carbene-metal-amides

(2020) Patrick J. Conaghan et al.   Nature Communications

Thermal Vibration Correlation Function Formalism for Molecular Excited State Decay Rates

(2020) Zhigang Shuai   CHINESE JOURNAL OF CHEMISTRY

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

(2019) Rasha Hamze et al.   SCIENCE

Suppression of Structural Change upon S1–T1 Conversion Assists the Thermally Activated Delayed Fluorescence Process in Carbazole-Benzonitrile Derivatives

(2019) Masaki Saigo et al.   Journal of Physical Chemistry Letters

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

ONIOM Studies on Thermally Activated Delayed Fluorescence of Copper(I) Dimers in Crystal

(2018) Yuan-Jun Gao et al.   CHEMICAL PHYSICS

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

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

Carbene–Metal–Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence

(2018) Elliot J. Taffet et al.   Journal of Physical Chemistry Letters

Recent progress in solution processable TADF materials for organic light-emitting diodes

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

Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule

(2017) Qian Peng et al.   Journal of Physical Chemistry C

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

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

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

(2017) Dawei Di et al.   SCIENCE

Evidence and mechanism of efficient thermally activated delayed fluorescence promoted by delocalized excited states

(2017) Takuya Hosokai et al.   Science Advances

Using the isotope effect to probe an aggregation induced emission mechanism: theoretical prediction and experimental validation

(2016) Tian Zhang et al.   Chemical Science

Organic light-emitting diodes: theoretical understanding of highly efficient materials and development of computational methodology

(2016) Zhigang Shuai et al.   National Science Review

Thermally Activated Delayed Fluorescence Materials Towards the Breakthrough of Organoelectronics

(2014) Ye Tao et al.   ADVANCED MATERIALS

Novel Thermally Activated Delayed Fluorescence Materials-Thioxanthone Derivatives and Their Applications for Highly Efficient OLEDs

(2014) Hui Wang et al.   ADVANCED MATERIALS

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

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

(2014) Qisheng Zhang et al.   Nature Photonics

Electronic Relaxation in Benzaldehyde Evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence

(2013) Qi Ou et al.   Journal of Physical Chemistry C

The Dalton quantum chemistry program system

(2013) Kestutis Aidas et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Correlation Function Formalism for Triplet Excited State Decay: Combined Spin–Orbit and Nonadiabatic Couplings

(2012) Qian Peng et al.   Journal of Chemical Theory and Computation

Highly efficient organic light-emitting diodes from delayed fluorescence

(2012) Hiroki Uoyama et al.   NATURE

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY