Excited state properties of non-doped thermally activated delayed fluorescence emitters with aggregation-induced emission: a QM/MM study

Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer

(2017) Hiroyuki Tsujimoto 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

Excited State Modulation for Organic Afterglow: Materials and Applications

(2016) Shen Xu et al.   ADVANCED MATERIALS

Decreasing the singlet–triplet gap for thermally activated delayed fluorescence molecules by structural modification on the donor fragment: First-principles study

(2016) Jian-zhong Fan et al.   CHEMICAL PHYSICS LETTERS

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

(2016) Jamie Gibson et al.   CHEMPHYSCHEM

First-Principles Investigation on Triazine Based Thermally Activated Delayed Fluorescence Emitters

(2016) Jian-zhong Fan et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

Dynamics of Excited States for Fluorescent Emitters with Hybridized Local and Charge-Transfer Excited State in Solid Phase: A QM/MM Study

(2016) Jianzhong Fan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electrostatic Interaction-Induced Room-Temperature Phosphorescence in Pure Organic Molecules from QM/MM Calculations

(2016) Huili Ma et al.   Journal of Physical Chemistry Letters

A novel coumarin-based red fluorogen with AIE, self-assembly, and TADF properties

(2016) Li Qiang Yan et al.   NEW JOURNAL OF CHEMISTRY

Quantification of temperature rise in unipolar organic conductors during short voltage-pulse excitation using electrical testing methods

(2016) Kou Yoshida et al.   ORGANIC ELECTRONICS

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

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

Understanding the efficiency drooping of the deep blue organometallic phosphors: a computational study of radiative and non-radiative decay rates for triplets

(2016) Qian Peng et al.   Journal of Materials Chemistry C

The ONIOM Method and Its Applications

(2015) Lung Wa Chung et al.   CHEMICAL REVIEWS

Reliable Prediction with Tuned Range-Separated Functionals of the Singlet–Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence

(2015) Haitao Sun et al.   Journal of Chemical Theory and Computation

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

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

Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach

(2015) Ting Chen et al.   Scientific Reports

Thermally Activated Delayed Fluorescence Materials Towards the Breakthrough of Organoelectronics

(2014) Ye Tao et al.   ADVANCED MATERIALS

From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation

(2014) Zhigang Shuai et al.   CHEMICAL SOCIETY REVIEWS

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

(2014) Qisheng Zhang et al.   Nature Photonics

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds

(2013) Shuping Huang et al.   Journal of Chemical Theory and Computation

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

Excited states structure and processes: Understanding organic light-emitting diodes at the molecular level

(2013) Zhigang Shuai et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

High-efficiency deep-blue organic light-emitting diodes based on a thermally activated delayed fluorescence emitter

(2013) Shuanghong Wu et al.   Journal of Materials Chemistry C

Highly efficient organic light-emitting diodes from delayed fluorescence

(2012) Hiroki Uoyama et al.   NATURE

Theoretical insights into the charge transport in perylene diimides based n-type organic semiconductors

(2012) Lili Lin et al.   ORGANIC ELECTRONICS

Aggregation-induced emission

(2011) Yuning Hong et al.   CHEMICAL SOCIETY REVIEWS

Demonstration and interpretation of significant asymmetry in the low-resolution and high-resolution Qy fluorescence and absorption spectra of bacteriochlorophyll a

(2011) Margus Rätsep et al.   JOURNAL OF CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

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

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules

(2010) Yingli Niu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Multiscale study of charge mobility of organic semiconductor with dynamic disorders

(2010) Linjun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect

(2008) YingLi Niu et al.   Science in China. Series B, Chemistry