Data-driven machine learning models for quick prediction of thermal stability properties of OLED materials

Multifunctional Bipolar Materials Serving as Emitters for Efficient Deep‐Blue Fluorescent OLEDs and as Hosts for Phosphorescent and White OLEDs

(2021) Jingwen Xu et al.   Advanced Optical Materials

Hole transporting material with passivating group (C N) for perovskite solar cells with improved stability

(2021) Zi'an Zhou et al.   DYES AND PIGMENTS

Novel D-A-D type small-molecular hole transport materials for stable inverted perovskite solar cells

(2021) Zhiming Gong et al.   ORGANIC ELECTRONICS

Improving Reverse Intersystem Crossing in Exciplex-forming hosts by introducing Heavy Atom Effect

(2021) Tianyu Huang et al.   Materials Today Energy

Highly Efficient Solution-Processed Organic Light-Emitting Diodes Containing a New Cross-linkable Hole Transport Material Blended with Commercial Hole Transport Materials

(2021) Hyein Ha et al.   ACS Applied Materials & Interfaces

Isomeric Carbazole-Based Hole-Transporting Materials: Role of the Linkage Position on the Photovoltaic Performance of Perovskite Solar Cells

(2021) Albertus Adrian Sutanto et al.   CHEMISTRY OF MATERIALS

Asymmetric Spirobiacridine‐based Delayed Fluorescence Emitters for High‐performance Organic Light‐Emitting Devices

(2021) Hiroki Arai et al.   CHEMISTRY-A EUROPEAN JOURNAL

Deep-Red Thermally Activated Delayed Fluorescence Emitters Based on a Phenanthroline-Containing Planar Acceptor

(2021) Wei Yang et al.   DYES AND PIGMENTS

Adjusting the photophysical properties of AIE-active TADF emitters from through-bond to through-space charge transfer for high-performance solution-processed OLEDs

(2021) Fulong Ma et al.   DYES AND PIGMENTS

Approaching Efficient and Narrow RGB Electroluminescence from D–A-Type TADF Emitters Containing an Identical Multiple Resonance Backbone as the Acceptor

(2021) Feng Huang et al.   ACS Applied Materials & Interfaces

Nanosecond-time-scale delayed fluorescence towards fast triplet-singlet spin conversion for efficient orange-red OLEDs with negligible efficiency roll-off

(2021) Zhipeng Qiu et al.   CHEMICAL ENGINEERING JOURNAL

Simple peripheral modification for color tuning of thermally activated delayed fluorescence emitters in OLEDs

(2021) Wenbo Yuan et al.   DYES AND PIGMENTS

Selenium-containing D−A−D-type dopant-free hole transport materials for perovskite solar cells

(2021) Yajie Fu et al.   DYES AND PIGMENTS

Molecular engineering of phenothiazine-based monomer and dimer hole transport materials and their photovoltaic performance

(2021) Mengde Zhai et al.   DYES AND PIGMENTS

Molecular engineering of “A-D-D-A” dual-emitting-cores emitters with thermally activated delayed fluorescence and aggregation-induced emission characteristics

(2021) Jinan Tang et al.   ORGANIC ELECTRONICS

Heteroatom effect on linear-shaped dopant-free hole transporting materials for perovskite solar cells

(2021) Zi'an Zhou et al.   SOLAR ENERGY

Blending isomers of fluorine-substituted sulfonyldibenzene as hole transport materials to achieve high efficiency beyond 21% in perovskite solar cells

(2021) Yang Yang et al.   CHEMICAL ENGINEERING JOURNAL

Highly efficient deep-red TADF organic light-emitting diodes via increasing the acceptor strength of fused polycyclic aromatics

(2021) Jian-Li He et al.   CHEMICAL ENGINEERING JOURNAL

Accelerated Discovery of Potential Organic Dyes for Dye‐Sensitized Solar Cells by Interpretable Machine Learning Models and Virtual Screening

(2020) Yaping Wen et al.   Solar RRL

Coplanar π‐Extended Quinoxaline Based Hole‐Transporting Material Enabling over 21% Efficiency for Dopant‐Free Perovskite Solar Cells

(2020) Huanxin Guo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software

(2020) Yoshiyuki Kobayashi et al.   ENVIRONMENTAL RESEARCH

Efficient Violet Organic Light‐Emitting Diodes with CIEy of 0.02 Based on Spiro Skeleton

(2020) Sheng‐Nan Zou et al.   Advanced Optical Materials

Finding the Next Superhard Material through Ensemble Learning

(2020) Ziyan Zhang et al.   ADVANCED MATERIALS

Highly efficient red fluorescent OLEDs based on diphenylacridine-naphthothiadiazole derivatives with upper level intersystem crossing

(2020) Xin He et al.   CHEMICAL ENGINEERING JOURNAL

Modulating the Electron‐Donating Ability of Acridine Donor Units for Orange–Red Thermally Activated Delayed Fluorescence Emitters

(2020) Tianheng Chen et al.   CHEMISTRY-A EUROPEAN JOURNAL

π‐Extended carbazole derivatives as host materials for highly efficient and long‐life green phosphorescent OLEDs

(2020) Ayato Arai et al.   CHEMISTRY-A EUROPEAN JOURNAL

Highly thermal stable electron-transporting materials using triptycene derivatives for OLEDs

(2020) Jayachandran Jayakumar et al.   ORGANIC ELECTRONICS

Triphenylethylene-based emitters exhibiting aggregation induced emission enhancement and balanced bipolar charge transport for blue non-doped organic light-emitting diodes

(2020) Ronit Sebastine Bernard et al.   SYNTHETIC METALS

Narrowband Emission from Organic Fluorescent Emitters with Dominant Low‐Frequency Vibronic Coupling

(2020) Xu Qiu et al.   Advanced Optical Materials

Twisted Biphenyl‐Diimide Derivatives with Aggregation‐Induced Emission and Thermally Activated Delayed Fluorescence for High Performance OLEDs

(2020) Zhijun Wang et al.   Advanced Optical Materials

Short Alkyl Chain Engineering Modulation on Naphthalene Flanked Diketopyrrolopyrrole toward High‐Performance Single Crystal Transistors and Organic Thin Film Displays

(2020) Qian Liu et al.   Advanced Electronic Materials

Exciplex-forming systems with extremely high RISC rates exceeding 107 s−1 for oxygen probing and white hybrid OLEDs

(2020) Malek Mahmoudi et al.   Journal of Materials Research and Technology-JMR&T

Rational design of pyridine-containing emissive materials for high performance deep-blue organic light-emitting diodes with CIEy ~ 0.06

(2020) Guo-Xi Yang et al.   DYES AND PIGMENTS

Synthesis, crystal structure, aggregation-induced emission enhancement and electroluminescence properties of a novel compound containing carbazole and triarylborane groups

(2020) Xiuqing Dong et al.   JOURNAL OF MOLECULAR STRUCTURE

A high thermal stability terpyridine derivative as the electron transporter for long-lived green phosphorescent OLED

(2020) Xuan Guo et al.   ORGANIC ELECTRONICS

CN decoration of dibenzofuran modified biphenyl for high triplet energy host for blue phosphorescent organic light-emitting diodes

(2020) Eui Gun Lee et al.   ORGANIC ELECTRONICS

Dopant-free dicyanofluoranthene-based hole transporting material with low cost enables efficient flexible perovskite solar cells

(2020) Xinyu Yu et al.   Nano Energy

Efficient corrections for DFT noncovalent interactions based on ensemble learning models

(2019) Wenze Li et al.   Journal of Chemical Information and Modeling

Control of Molecular Orientation in Organic Semiconductor Films using Weak Hydrogen Bonds

(2019) Yuichiro Watanabe et al.   ADVANCED MATERIALS

Applications of machine learning in drug discovery and development

(2019) Jessica Vamathevan et al.   NATURE REVIEWS DRUG DISCOVERY

Unsupervised word embeddings capture latent knowledge from materials science literature

(2019) Vahe Tshitoyan et al.   NATURE

High‐Efficiency Red Organic Light‐Emitting Diodes with External Quantum Efficiency Close to 30% Based on a Novel Thermally Activated Delayed Fluorescence Emitter

(2019) Yuan‐Lan Zhang et al.   ADVANCED MATERIALS

Improving the Stability of Green Thermally Activated Delayed Fluorescence OLEDs by Reducing the Excited-State Dipole Moment

(2019) Chao Deng et al.   Journal of Physical Chemistry C

Triphenylamine dibenzofulvene–derived dopant‐free hole transporting layer induces micrometer‐sized perovskite grains for highly efficient near 20% for p‐i‐n perovskite solar cells

(2019) Yung‐Chung Chen et al.   PROGRESS IN PHOTOVOLTAICS

Improved Prediction of Blood–Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints

(2018) Yaxia Yuan et al.   AAPS Journal

High-Performance Fluorescent Organic Light-Emitting Diodes Utilizing an Asymmetric Anthracene Derivative as an Electron-Transporting Material

(2018) Dongdong Zhang et al.   ADVANCED MATERIALS

Predicting reaction performance in C–N cross-coupling using machine learning

(2018) Derek T. Ahneman et al.   SCIENCE

Ensemble Learning for Overall Power Conversion Efficiency of the All-Organic Dye-Sensitized Solar Cells

(2018) Hui Li et al.   IEEE Access

Machine learning for molecular and materials science

(2018) Keith T. Butler et al.   NATURE

Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n–D–(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs

(2018) Mengying Bian et al.   Journal of Materials Chemistry C

Optimized electron-transport material based on m-terphenyl-diphenylphosphine oxide with the harmonious compatibility of high ET and electron mobility for highly efficient OLEDs

(2017) Qing Zhang et al.   Journal of Materials Chemistry C

Machine learning in materials informatics: recent applications and prospects

(2017) Rampi Ramprasad et al.   npj Computational Materials

Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity

(2016) Alessandro Sangion et al.   ENVIRONMENT INTERNATIONAL

Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches

(2016) Govindan Subramanian et al.   Journal of Chemical Information and Modeling

Degradation Mechanisms and Reactions in Organic Light-Emitting Devices

(2015) Sebastian Scholz et al.   CHEMICAL REVIEWS

Tuning a Weak Emissive Blue Host to Highly Efficient Green Dopant by a CN in Tetracarbazolepyridines for Solution-Processed Thermally Activated Delayed Fluorescence Devices

(2015) Chao Tang et al.   Advanced Optical Materials

Pyridine-containing phenanthroimidazole electron-transport materials with electron mobility/energy-level trade-off optimization for highly efficient and low roll-off sky blue fluorescent OLEDs

(2015) Bo Wang et al.   Journal of Materials Chemistry C

Pyridine-Containing Electron-Transport Materials for Highly Efficient Blue Phosphorescent OLEDs with Ultralow Operating Voltage and Reduced Efficiency Roll-Off

(2014) Hua Ye et al.   ADVANCED FUNCTIONAL 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

Promising operational stability of high-efficiency organic light-emitting diodes based on thermally activated delayed fluorescence

(2013) Hajime Nakanotani et al.   Scientific Reports

Ambipolar Transporting 1,2-Benzanthracene Derivative with Efficient Green Excimer Emission for Single-Layer Organic Light-Emitting Diodes

(2013) Lian Duan et al.   Advanced Optical Materials

Hybrid Heterocycle-Containing Electron-Transport Materials Synthesized by Regioselective Suzuki Cross-Coupling Reactions for Highly Efficient Phosphorescent OLEDs with Unprecedented Low Operating Voltage

(2012) Ming Liu et al.   CHEMISTRY OF MATERIALS

Peripheral modification of 1,3,5-triazine based electron-transporting host materials for sky blue, green, yellow, red, and white electrophosphorescent devices

(2012) Hsiao-Fan Chen et al.   JOURNAL OF MATERIALS CHEMISTRY

QSPR based on support vector machines to predict the glass transition temperature of compounds used in manufacturing OLEDs

(2012) Rogério Barbosa-da-Silva et al.   MOLECULAR SIMULATION

Low-Power Flexible Organic Light-Emitting Diode Display Device

(2011) Sunkook Kim et al.   ADVANCED MATERIALS

Influence of Substituted Pyridine Rings on Physical Properties and Electron Mobilities of 2-Methylpyrimidine Skeleton-Based Electron Transporters

(2010) Hisahiro Sasabe et al.   ADVANCED FUNCTIONAL MATERIALS

Support vector machine-based QSPR for the prediction of glass transition temperatures of polymers

(2010) Xinliang Yu   FIBERS AND POLYMERS

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY