蔺丽丽｜山东师范大学｜学者主页

2026

Balancing hybrid local and charge-transfer excited states and molecular rigidity for high-efficiency narrowband MR-TADF emitters: A theoretical study

Chen Zhao, Songsong Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Yuzhi Song, Jianzhong Fan

Journal of Photochemistry and Photobiology A Chemistry

DOI

2026

Donor Engineering and Solid-State Confinement Enable Switchable RTP and TADF in Saccharin-Based Emitters

Yang Gao, Congzhou Jiang, Wenjing Xi, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

The Journal of Physical Chemistry A

DOI

2026

Substituent and Hydrostatic Pressure Regulation of Triplet Exciton Dynamics in Organic Room-Temperature Phosphorescent Crystals

Yan Wang, Huanling Liu, Yuzhi Song, Lili Lin, Xiu-Neng Song, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2026

Positional isomerism modulates triplet dynamics in organic room-temperature phosphorescence crystals

Yang Gao, Congzhou Jiang, Lili Lin, En Cao, Jianzhong Fan, Yuzhi Song, Songsong Liu

Dyes and Pigments

DOI

2026

Theoretical study of thermally activated delayed fluorescence emitters with four-coordinate boron acceptors

WU Zhi-min, Ran Liu, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Journal of Photochemistry and Photobiology A Chemistry

DOI

2026

Elucidating the role of α-type and β-type transitions in organic luminescent radicals: substituent-driven modulation of luminescence efficiency

Jianzhong Fan, Kexin Liu, Wenjing Xi, Yan Qing Wang, Yuzhi Song, Lili Lin, Cai Lei

Journal of Photochemistry and Photobiology A Chemistry

DOI

2026

Mechanisms of White-Light Emission and Pressure-Modulated Dual Emission in Weak Donor–Acceptor Systems: A Theoretical Perspective

Xiaoyi Chen, Dan Yang, Jianzhong Fan, Lili Lin, En Cao, Songsong Liu, Yuzhi Song

The Journal of Physical Chemistry Letters

DOI

2026

Theoretical investigation of six-level energy engineering via excited-state double proton transfer for near-infrared organic lasers

Jing Su, Yachen Cui, Lili Lin, Jianzhong Fan, Chuan‐Kui Wang, Lei Cai

Chemical Physics

DOI

2026

Exploring red circularly polarized multiple resonance thermally activated delayed fluorescence mechanism: From theoretical insights to molecular design

Jianzhong Fan, Wenjing Xi, Kexin Liu, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Lei Cai

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2026

Achieving Blue-Shifted and Optimal Room Temperature Phosphorescence Emission via Hydrostatic Pressure Effect: A Theoretical Perspective

Huanling Liu, Yue Wang, Zhen Xie, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry Letters

DOI

2026

Achieving efficient room-temperature phosphorescence through substituent planarity and intermolecular interaction regulation: A theoretical perspective

Haizhen Yu, Huanling Liu, Yan Wang, Lili Lin, Fan Li, Jianzhong Fan, Lei Cai

Dyes and Pigments

DOI

2026

Unraveling the Dual-Emission Mechanisms and Pressure-Induced Response in Organic Polymorphic Room-Temperature Phosphorescence

Yan Wang, Huanling Liu, Lili Lin, En Cao, Yuzhi Song, Jianzhong Fan, Songsong Liu

The Journal of Physical Chemistry A

DOI

2026

Effect of electric field on the luminescent properties of thermally activated delayed fluorescence emitters

Lili Lin, Ran Liu, Xiaofei Wang, Chuan‐Kui Wang

Journal of Photochemistry and Photobiology A Chemistry

DOI

2026

Unveiling Multichannel Triplet Excitons Up-Conversion Mechanisms in Blue Thermally Activated Delayed Fluorescence Emitters

Yang Gao, Congzhou Jiang, Chen Zhao, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

The Journal of Physical Chemistry Letters

DOI

2026

Theoretical Investigation of High-Performance Pure Red Multiple Resonance Thermally Activated Delayed Fluorescence Organic Lasers with Suppressed Efficiency Roll-Off

Yachen Cui, Shaoqiao Zhao, Jianzhong Fan, Lili Lin, Yuzhi Song, Chuan‐Kui Wang, Lei Cai

Chinese Journal of Chemical Physics

DOI

2026

Unraveling the photophysical properties of 4CzIPN doped in different hosts: a theoretical study

Xiaofei Wang, WU Zhi-min, Rui Li, Ran Liu, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Physical Chemistry Chemical Physics

DOI

2025

重原子效应对多重共振热活化延迟荧光分子发光性质的影响:理论见解（英文）

李瑞，吴智敏，李小芳，王晓菲，宋玉志，范建忠，张广平，王传奎，蔺丽丽

Chinese Journal of Chemical Physics

2025

Luminescent mechanism and theoretical screening of all-donor molecules as potential TADF emitters

Lili Lin, Jiaxin Zhou, Xiaofei Wang, WU Zhi-min, Rui Li, Ran Liu, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang

Journal of Photochemistry and Photobiology A Chemistry

DOI

2025

Barrierless conical intersection as a photophysical design principle for photoacoustic and photothermal contrast agents

Zhimin Wu, Syed Ali Abbas Abedi, Rongrong Huang, Lili Lin, Xiaogang Liu

Chinese Chemical Letters

DOI

2025

Luminescence Study of DPAC-PCN Doped in Isomeric Host Materials

Xiaofei Wang, WU Zhi-min, Ying Cao, Jiaxin Zhou, Yuzhi Song, Jianzhong Fan, Lili Lin, Jing Li

The Journal of Physical Chemistry A

DOI

2025

Mechanisms of Enhanced Efficiency and Stability in Perovskite Luminescence via Rb Interstitial Doping

Ying Cao, Qikai Wang, Zhenguo Ji, Yaqi Qi, Jie Qin, Yuzhi Song, Chuan‐Kui Wang, Lili Lin, Lei Cai

The Journal of Physical Chemistry Letters

DOI

2025

Force–Light–Electric Three-Dimensional Dynamic Mechanism of Room-Temperature Phosphorescence Materials under Hydrostatic Pressure

Huanling Liu, Yang Gao, Lili Lin, Yuzhi Song, Zhen Xie, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry Letters

DOI

2025

Modulating circularly polarized luminescent and thermally activated delayed fluorescence properties by introducing chiral unit and extending acceptor unit strategies

Zhao Chen, Songsong Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Yuzhi Song, Jianzhong Fan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2025

Dimer emission mechanism for room temperature phosphorescence molecules with hydrostatic pressure responsive properties: a theoretical study

Fan Li, Huanling Liu, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Zhen Xie, Jianzhong Fan

Dyes and Pigments

DOI

2025

Modulating exciton transfer pathways via oxidation and n-π* transitions for efficient room-temperature phosphorescence

Huanling Liu, Yan Wang, Songsong Liu, Lili Lin, Yuzhi Song, Chuan‐Kui Wang, Zhen Xie, Jianzhong Fan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2025

Pressure-Induced Monotonic Phosphorescence Enhancement in Organic Crystals: Spin–Orbit Coupling and Molecular Packing Strategies

Songsong Liu, Yan Wang, Lili Lin, Chuan‐Kui Wang, Yuzhi Song, Zhen Xie, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2025

Theoretical Insights into Halogen Substitution Effects on Room Temperature Phosphorescence in Twisted Halogenated Tetraphenylene Derivatives

Songsong Liu, Huanling Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Yuzhi Song, Zhen Xie, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2025

Theoretical perspective for carbazole fusion effect on multiple resonance thermally activated delayed fluorescent properties

Jianjun Fang, Yiquan Wang, Guoliang Chen, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Kai Zhang

Journal of Luminescence

DOI

2025

Theoretical study for constructing red multiple-resonance thermally activated delayed fluorescence molecules with narrowband emission by donor engineering strategy

Xin Zhao, Huanling Liu, Yuzhi Song, Lili Lin, Yuanyuan Xu, Chuan‐Kui Wang, Jianzhong Fan

Chinese Journal of Physics

DOI

2025

Luminescence properties and mechanism studies of thermally activated delayed fluorescence molecules

WU Zhi-min, Xiaofei Wang, Xiaofei Wang, Rui Li, Jiaxin Zhou, Ying Cao, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin, Zhongjie Wang

Organic Electronics

DOI

2025

How intermolecular interaction and hydrostatic pressure affect the organic room temperature phosphorescence properties: A QM/MM study

Yuanyuan Xu, Huanling Liu, Kunwei Pang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Chinese Journal of Physics

DOI

2025

The role of heavy atom effect in regulating multiple-resonance and thermally activated delayed fluorescence features: A theoretical perspective

Xuelu Yang, Songsong Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Chemical Physics

DOI

2025

How Structure and Hydrostatic Pressure Impact Excited-State Properties of Organic Room-Temperature Phosphorescence Molecules: A Theoretical Perspective

Yan Wang, Huanling Liu, Yuzhi Song, Lili Lin, Yuanyuan Xu, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2024

热活化延迟荧光和室温磷光分子理论机制及研究进展（英文）

赵鑫，宋玉志，蔺丽丽，王传奎，范建忠

Journal of Molecular Science

2024

Hydrogen Bond “Double-Edged Sword Effect” on Organic Room-Temperature Phosphorescence Properties: A Theoretical Perspective

Songsong Liu, Yang Gao, Chen Zhao, Lili Lin, Chuan‐Kui Wang, Yuzhi Song, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2024

Theoretical perspective for molecular folding degree and heavy atom effect on room temperature phosphorescence properties

Xueyan Sun, Huanling Liu, Yan Wang, Yuzhi Song, Lili Lin, Jianzhong Fan, Yuanyuan Xu

Molecular Physics

DOI

2024

Heavy atom effect on the luminescent properties of multi-resonance thermally activated delayed fluorescence emitters: Theoretical insights

Rui Li, Zhimin Wu, Xiaofang Li, Xiaofei Wang, Yuzhi Song, Jianzhong Fan, Guangping Zhang, Chuan‐Kui Wang, Lili Lin

Chinese Journal of Chemical Physics

DOI

2024

Exploration of red and deep red Thermally activated delayed fluorescence molecules constructed via intramolecular locking strategy

Huanling Liu, Yan Wang, Yan Wang, Xin Zhao, Yuzhi Song, Lili Lin, Jianzhong Fan, Chuan‐Kui Wang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2024

Theoretical insights on highly efficient X-shaped near-infrared thermal activation delayed fluorescence emitter

Kai Zhang, Huanling Liu, Lei Cai, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Jing Li

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2024

Theoretical Insights into the Photophysical Properties of 4CzIPN Doped in Different Hosts: A Multiscale Study

Xiaofei Wang, WU Zhi-min, Rui Li, Xiaofang Li, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry A

DOI

2024

Role of Bridging Groups in Regulating the Luminescence and Charge Transfer Properties of Thermally Activated Delayed Fluorescence Molecules: A Theoretical Perspective

Kai Zhang, GuangLu He, Lei Cai, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Jing Li

The Journal of Physical Chemistry A

DOI

2024

Regulation for photophysical properties of thermally activated delayed fluorescence molecules with through-space charge transfer by substitution effect

Xiaofang Li, Xiaofei Wang, Zhimin Wu, Rui Li, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Chemical Physics Letters

DOI

2024

Self-doping mechanism for thermally activated delayed fluorescence molecules: a theoretical perspective

Hao Lan, Zhi‐Qing Li, Songsong Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Molecular Physics

DOI

2024

Conformational Isomerization Effect on Singlet/Triplet Energy Consumption Process of Thermally Activated Delayed Fluorescence Molecules with Aggregation Induced Emission: A QM/MM Study

Kai Zhang, Lei Cai, Jianzhong Fan, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jing Li

The Journal of Physical Chemistry Letters

DOI

2024

Delineating conformation control in the room temperature phosphorescence and thermally activated delayed fluorescence behaviors: A first-principles investigation

Zhiqing Li, Yang Gao, Songsong Liu, Shulei Liu, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Chemical Physics Letters

DOI

2024

Enhancing reverse intersystem crossing and horizontal dipole orientation for near-infrared thermally activated delayed fluorescence molecules by donor engineering strategy

Jianzhong Fan, Huanling Liu, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Yuanyuan Xu, Xin Zhao

Journal of Materials Chemistry C

DOI

2024

Theoretical design and performance prediction of deep red/near-infrared thermally activated delayed fluorescence molecules with through space charge transfer

Xiaofang Li, Xiaofei Wang, WU Zhi-min, Kai Zhang, Rui Li, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Physical Chemistry Chemical Physics

DOI

2024

Modulation of luminescence properties of circularly polarized thermally activated delayed fluorescence molecules with axial chirality by donor engineering

Shulei Liu, Songsong Liu, Yang Gao, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Physical Chemistry Chemical Physics

DOI

2023

Effect of aggregation on thermally activated delayed fluorescence and ultralong organic phosphorescence: QM/MM study

Qun Zhang, Xiaofei Wang, WU Zhi-min, Xiaofang Li, Kai Zhang, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Chinese Physics B

DOI

2023

Thermally activated delayed fluorescence emitters with bulky four-coordinate boron acceptors for high-performance solution-processed OLEDs

Bowen Li, Zhenming Ding, WU Zhi-min, Meihua Liu, Meihua Liu, Dongcheng Chen, Dongcheng Chen, Zhigao Li, Long Sang, Yu Liu, Lili Lin, Weiguo Zhu, Xiaobo Wan

Chemical Engineering Journal

DOI

2023

Exploring the luminescence properties and sensing mechanism of a turn-on TADF probe for sulfite

Xiaofei Wang, Qun Zhang, WU Zhi-min, Xiaofang Li, Kai Zhang, Yuzhi Song, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Zhongjie Wang

Physical Chemistry Chemical Physics

DOI

2023

Theoretical study on the influence of substitution position on the luminescence properties and charge transfer characteristics of thermally activated delayed fluorescent molecules

Kai Zhang, Xiaofei Wang, Lei Cai, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2023

Theoretical perspective for structural isomerism effect on photoelectric properties of organic room temperature phosphorescence molecules

Huanling Liu, Qingfang Mu, Xin Zhao, Yan Wang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Materials Today Chemistry

DOI

2023

Isomer engineering for red thermally activated delayed fluorescence molecules: Luminescence mechanism study and rational molecular design

Xin Zhao, Huanling Liu, Qingfang Mu, Zhen Xie, Yuzhi Song, Lili Lin, Jianzhong Fan, Yuanyuan Xu

Chemical Physics Letters

DOI

2023

Acceptor engineering for modulating circularly polarized luminescence and thermally activated delayed fluorescence properties

Shulei Liu, Songsong Liu, Yang Gao, Hao Lan, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Materials Today Chemistry

DOI

2023

Role of halogen effects and cyclic imide groups in constructing red and near-infrared room temperature phosphorescence molecules: theoretical perspective and molecular design

Qingfang Mu, Kai Zhang, Huanling Liu, Zhen Xie, Yuzhi Song, Chuan‐Kui Wang, Lili Lin, Yuanyuan Xu, Jianzhong Fan

Physical Chemistry Chemical Physics

DOI

2023

The impact of aggregation of AIE and ACQ moiety-integrating material on the excited state dynamics

Gui‐Yuan Wu, Hui-Min Zhu, Hao Li, Kai Zhang, Xianyi Zhang, Dong Yan, Xiudu Zhang, Lili Lin, Zhou Lu

RSC Advances

DOI

2023

Theoretical exploration of the bromine substitution effect and hydrostatic pressure responsive mechanism for room temperature phosphorescence

Qingfang Mu, Huanling Liu, Yuzhi Song, Chuan‐Kui Wang, Lili Lin, Yuanyuan Xu, Jianzhong Fan

Physical Chemistry Chemical Physics

DOI

2023

Multi-resonance thermally activated delayed fluorescence molecules with intramolecular-lock: theoretical design and performance prediction

WU Zhi-min, Qun Zhang, Xiaofei Wang, Kai Zhang, Xiaofang Li, Rui Li, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin, Zhongjie Wang

Physical Chemistry Chemical Physics

DOI

2022

Controllable construction of red thermally activated delayed fluorescence molecules based on a spiro-acridine donor

Huanling Liu, Kai Zhang, Haipei Zou, Qingfang Mu, Yuzhi Song, Lili Lin, Yuanyuan Xu, Chuan‐Kui Wang, Jianzhong Fan

Physical Chemistry Chemical Physics

DOI

2022

Theoretical study on thermally activated delayed fluorescent molecules based on space charge transfer

Xiaofang Li, Xiaofei Wang, Qun Zhang, WU Zhi-min, Kai Zhang, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2022

Exploration on dual emission mechanism of CPzP and CPzPO with thermally activated delayed fluorescence

Qun Zhang, Muzhen Li, Xiaofei Wang, Kai Zhang, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Molecular Physics

DOI

2022

Theoretical perspective for the relationship between molecular structures and circularly polarised thermally activated delayed fluorescence properties

Shulei Liu, Ming Li Qin, Songsong Liu, Yang Gao, Bihe Li, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Molecular Physics

DOI

2022

Theoretical perspective for substitution effect on luminescent properties of through space charge transfer-based thermally activated delayed fluorescence molecules

Haipei Zou, Huanling Liu, Qingfang Mu, Kai Zhang, Yuzhi Song, Lili Lin, Yuanyuan Xu, Chuan‐Kui Wang, Jianzhong Fan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2022

Theoretical study and molecular design of thermally activated delayed fluorescence molecules based on intramolecular-locked strategy

WU Zhi-min, Qun Zhang, Xiaofei Wang, Kai Zhang, Xiaofang Li, Qingfang Mu, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Journal of Luminescence

DOI

2022

Theoretical insights into room temperature phosphorescence emission with anti-Kasha behavior in aggregate

Qingfang Mu, Kai Zhang, Haipei Zou, Huanling Liu, Yuzhi Song, Chuan‐Kui Wang, Lili Lin, Jianzhong Fan

Dyes and Pigments

DOI

2022

Novel Deep Red Thermally Activated Delayed Fluorescence Molecule with Aggregation-Induced Emission Enhancement: Theoretical Design and Experimental Validation

Kai Zhang, Xiao Zhang, Jianzhong Fan, Jianzhong Fan, Yuzhi Song, Jian Fan, Jian Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry Letters

DOI

2022

Insights on isomeric emitters with thermally activated delayed fluorescence: Comparison between solvent and crystal state

Kai Zhang, Xiaofei Wang, Qun Zhang, WU Zhi-min, Xiaofang Li, Qingfang Mu, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2022

Theoretical perspective of relationship between molecular structure and luminescence properties for circularly polarized thermally activated delayed fluorescence

Yuzhi Song, Ming Li Qin, Songsong Liu, Yang Gao, Bihe Li, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2022

Theoretical Study on the Light-Emitting Mechanism of Multifunctional Thermally Activated Delayed Fluorescence Molecules

Kai Zhang, Qun Zhang, Muzhen Li, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry C

DOI

2022

The mechanism of intramolecular halogen bonding enhanced the quantum efficiency of ultralong organic phosphorescence in the aggregated state

Songsong Liu, Yang Gao, Kai Zhang, Shulei Liu, Hao Lan, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Physical Chemistry Chemical Physics

DOI

2022

Theoretical studies on the excited-state properties of thermally activated delayed fluorescence molecules with aggregation induced emission

Yuzhi Song, Bihe Li, Songsong Liu, Ming Li Qin, Yang Gao, Kai Zhang, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Journal of Materials Chemistry C

DOI

2022

Efficient deep red/near-infrared thermally activated delayed fluorescence emitters via molecular reconstruction: theoretical insights

Kai Zhang, Lei Cai, Jianzhong Fan, Yuzhi Song, Lili Lin, Chuan‐Kui Wang

Physical Chemistry Chemical Physics

DOI

2022

A theoretical perspective of the relationship between the structures and luminescence properties of red thermally activated delayed fluorescence molecules

Huanling Liu, Kai Zhang, Haipei Zou, Qingfang Mu, Xiaorui Wang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Physical Chemistry Chemical Physics

DOI

2021

Theoretical verification of intermolecular hydrogen bond induced thermally activated delayed fluorescence in SOBF-OMe*

Muzhen Li, Feiyan Li, Qun Zhang, Kai Zhang, Yuzhi Song, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Chinese Physics B

DOI

2021

Structural Isomerization Effect on the Triplet Energy Consumption Process of Organic Room-Temperature Phosphorescence Molecules: A QM/MM Study

Yuanyuan Xu, Kai Zhang, Jiancai Leng, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry C

DOI

2021

A QM/MM study on through space charge transfer-based thermally activated delayed fluorescence molecules in the solid state

Haipei Zou, Yuying Ma, Huanling Liu, Qingfang Mu, Kai Zhang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Journal of Materials Chemistry C

DOI

2021

Structure–property relationship study of blue thermally activated delayed fluorescence molecules with different donor and position substitutions: theoretical perspective and molecular design

Yuzhi Song, Bihe Li, Songsong Liu, Ming Li Qin, Yang Gao, Kai Zhang, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Journal of Materials Chemistry C

DOI

2021

Structure-property relationship for triarylboron-based thermally activated delayed fluorescence molecules: A theoretical perspective

WU Zhi-min, Feiyan Li, Yong Zhou, Jianzhong Fan, Lili Lin

Materials Science and Engineering B

DOI

2021

Sensing mechanism of fluorescent sensor to Cu2+ based on inhibiting ultra-fast intramolecular proton transfer process

Songsong Liu, Ming Li Qin, Qi Lu, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2021

Highly Efficient Near-Infrared Thermally Activated Delayed Fluorescence Molecules via Acceptor Tuning: Theoretical Molecular Design and Experimental Verification

Kai Zhang, Fei Yang, Yuchen Zhang, Yuying Ma, Jianzhong Fan, Jianzhong Fan, Jian Fan, Jian Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry Letters

DOI

2021

Highly efficient T-shaped deep-red thermally activated delayed fluorescence emitters: substitution position effect

Kai Zhang, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Physical Chemistry Chemical Physics

DOI

2020

Perspective for aggregation-induced delayed fluorescence mechanism: A QM/MM study*

Jie Liu, Jianzhong Fan, Kai Zhang, Yuchen Zhang, Chuan‐Kui Wang, Lili Lin

Chinese Physics B

DOI

2020

Effects of Secondary Acceptors on Excited-State Properties of Sky-Blue Thermally Activated Delayed Fluorescence Molecules: Luminescence Mechanism and Molecular Design

Yuying Ma, Kai Zhang, Yuchen Zhang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

The Journal of Physical Chemistry A

DOI

2020

Intermolecular interaction on excited-state properties of fluoro-substituted thermally activated delayed fluorescence molecules with aggregation-induced emission: a theoretical perspective

Yuying Ma, Kai Zhang, Yuchen Zhang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Molecular Physics

DOI

2020

Design strategy for blue thermally activated delayed fluorescence: Position and methyl substitutions

Qi Lu, Ming Li Qin, Songsong Liu, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Chemical Physics Letters

DOI

2020

Theoretical insights on the luminescent mechanism of an efficient aggregation‐induced nondoped delayed fluorescence emitter using QM / MM method

Hao Sun, Xiu Xin Yin, Zhi‐Peng Liu, Shu‐Li Wei, Jianzhong Fan, Lili Lin, Yuping Sun

International Journal of Quantum Chemistry

DOI

2020

Solid-State Effect Induced Thermally Activated Delayed Fluorescence with Tunable Emission: A Multiscale Study

Kai Zhang, Yuchen Zhang, Yuying Ma, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry A

DOI

2020

Theoretical Study on Thermally Activated Delayed Fluorescence Emitters in White Organic Light-Emitting Diodes: Emission Mechanism and Molecular Design

Feiyan Li, Muzhen Li, Jianzhong Fan, Yuzhi Song, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry A

DOI

2020

Solid-state effect on luminescent properties of thermally activated delayed fluorescence molecule with aggregation induced emission: A theoretical perspective

Yuchen Zhang, Yuying Ma, Kai Zhang, Yuzhi Song, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2020

Theoretical Study on the Sensing Mechanism of Novel Hydrazine Sensor TAPHP and Its ESIPT and ICT Processes

Songsong Liu, Jiajun Lu, Qi Lu, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Yuzhi Song

Frontiers in Chemistry

DOI

2020

Insights on aggregation induced room temperature phosphorescence properties: A QM/MM study

Yu-Chen Zhang, Yuying Ma, Kai Zhang, Chuan‐Kui Wang, Lili Lin, Jianzhong Fan

Journal of Luminescence

DOI

2020

The role of intermolecular interactions in regulating the thermally activated delayed fluorescence and charge transfer properties: a theoretical perspective

Jianzhong Fan, Yuchen Zhang, Yuying Ma, Yuzhi Song, Lili Lin, Yuanyuan Xu, Chuan‐Kui Wang

Journal of Materials Chemistry C

DOI

2020

Tunable lifetimes and efficiencies of room temperature phosphorescent liquids by modulating the length and number of alkyl chains

Yu-Chen Zhang, Kai Zhang, Yuying Ma, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan

Physical Chemistry Chemical Physics

DOI

2019

Effects of intramolecular and intermolecular interactions on excited state properties of two isomeric Cu complexes with AIE and TADF mechanisms in solid phase: A QM/MM study

Jianzhong Fan, Yu-Chen Zhang, Kai Zhang, Jie Liu, Guanyu Jiang, Lili Lin, Chuan‐Kui Wang

Organic Electronics

DOI

2019

Substitution effect on luminescent property of thermally activated delayed fluorescence molecule with aggregation induced emission: A QM/MM study

Qi Lu, Guanyu Jiang, Feiyan Li, Lili Lin, Chuan‐Kui Wang, Jianzhong Fan, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

Thermally activated delayed fluorescence emitters with dual conformations for white organic light-emitting diodes: mechanism and molecular design

Feiyan Li, Guanyu Jiang, Muzhen Li, Jianzhong Fan, Yuzhi Song, Chuan‐Kui Wang, Lili Lin

Physical Chemistry Chemical Physics

DOI

2019

Suppression of aggregation caused quenching in U-shaped thermally activated delayed fluorescence molecules: Tert-butyl effect

Guanyu Jiang, Feiyan Li, Xiangpeng Kong, Jianzhong Fan, Yuzhi Song, Chuan‐Kui Wang, Lili Lin

Journal of Luminescence

DOI

2019

Theoretical perspective for luminescent mechanism of thermally activated delayed fluorescence emitter with excited-state intramolecular proton transfer

Guanyu Jiang, Feiyan Li, Jianzhong Fan, Yuzhi Song, Chuan‐Kui Wang, Lili Lin

Journal of Materials Chemistry C

DOI

2019

Theoretical Study of the Mechanism of Aggregation-Caused Quenching in Near-Infrared Thermally Activated Delayed Fluorescence Molecules: Hydrogen-Bond Effect

Kai Zhang, Jie Liu, Yuchen Zhang, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

The Journal of Physical Chemistry C

DOI

2019

First-principles study on the singlet–triplet energy gap of thermally activated delayed fluorescence molecules

Yuan-Fei Wei, Feiyan Li, Lei Cai, Yurong Shi, Yong Zhou, Lili Lin

Molecular Crystals and Liquid Crystals

DOI

2019

Substitution induced tunable emission of an airplane-like pyrene-based fluorophore: First-principles study

Tian Zhang, Sai Chu, Lili Lin, Chuan‐Zeng Wang, Guangshuai Gong, Xiaojuan Song, Jianzhong Fan, Shuping Zhuo

Chemical Physics Letters

DOI

2019

Solvent effect on the photophysical properties of thermally activated delayed fluorescence molecules

Xiaotong Zhang, Yurong Shi, Lei Cai, Yong Zhou, Chuan‐Kui Wang, Lili Lin

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

The mechanism of the excited-state proton transfer of Salicylaldehyde azine and 2,2'-[1,4-Phenylenebis{(E)- nitrilomethylidyne}] bisphenol: Via single or double proton transfer

Hui Zhang, Songsong Liu, Changzhe Zhang, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

Theoretical study and experimental validation on the optical emission processes in “free” and “locked” pyrazine derivatives

Tian Zhang, Fanze Meng, Lili Lin, Juanjuan Luo, Haozhong Wu, Xiaojuan Song, Chuan‐Zeng Wang, Hongtao Lin, Zhiming Wang, Shuping Zhuo

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

Bicolor switching mechanism of multifunctional light-emitting molecular material in solid phase

Jie Liu, Yu-Chen Zhang, Kai Zhang, Jianzhong Fan, Chuan‐Kui Wang, Lili Lin

Organic Electronics

DOI

2019

The novel excited state intramolecular proton transfer broken by intermolecular hydrogen bonds in HOF system

Songsong Liu, Yu Zhao, Changzhe Zhang, Lili Lin, Yongqing Li, Yuzhi Song

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

Theoretical arrangement of thermally activated delayed fluorescence as host for fluorescent emitter with blue to red emission

Jianzhong Fan, Yuchen Zhang, Kai Zhang, Jie Liu, Guanyu Jiang, Feiyan Li, Lili Lin, Chuan‐Kui Wang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2019

Theoretical study on the optical emission processes in geminally locked tetraphenylethylene derivatives

Tian Zhang, Guozheng Zhu, Lili Lin, Jianzhong Fan, Guangshuai Gong, Jinglin Mu, Ling‐Bao Xing, Yujun Xie, Shuping Zhuo

Chemical Physics Letters

DOI

2019

Cyano substitution effect on the emission quantum efficiency in stilbene derivatives: A computational study

Tian Zhang, Guozheng Zhu, Lili Lin, Jinglin Mu, Bing Ai, Yuchao Li, Shuping Zhuo

Organic Electronics

DOI

2019

Strategy to modulate the singlet-triplet energy gap for spiro-based thermally activated delayed fluorescence molecules

Jianzhong Fan, Yuchen Zhang, Kai Zhang, Lili Lin, Chuan‐Kui Wang

Journal of Luminescence

DOI

2019

Towards boosting the exciton lifetime and efficiency of near-infrared aggregation induced emitters with hybridized local and charge transfer excited states: a multiscale study

Jianzhong Fan, Yuchen Zhang, Kai Zhang, Jie Liu, Guanyu Jiang, Feiyan Li, Lili Lin, Chuan‐Kui Wang

Journal of Materials Chemistry C

DOI

2019

Theoretical study on the light-emitting mechanism of circularly polarized luminescence molecules with both thermally activated delayed fluorescence and aggregation-induced emission

Xiu Xin Yin, Jianzhong Fan, Jie Liu, Lei Cai, Hao Sun, Yuping Sun, Chuan‐Kui Wang, Lili Lin

Physical Chemistry Chemical Physics

DOI

2018

供电子能力对一类热活化延迟荧光分子反系间窜越速率的影响（英文）

王明朗，范建忠，蔺丽丽

Chinese Journal of Chemical Physics

2018

Mechanical Insights into Aggregation‐Induced Delayed Fluorescence Materials with Anti‐Kasha Behavior

Jingjing Guo, Jianzhong Fan, Lili Lin, Jiajie Zeng, Hao Liu, Chuan‐Kui Wang, Zujin Zhao, Ben Zhong Tang

Advanced Science

DOI

2018

Effect of intermolecular interaction on excited-state properties of thermally activated delayed fluorescence molecules in solid phase: A QM/MM study

Kai Zhang, Lei Cai, Jianzhong Fan, Yuchen Zhang, Lili Lin, Chuan‐Kui Wang

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

DOI

2018

Electroluminescent Mechanism of Thermally Activated Delayed Fluorescence Emitters: Conformational Effect

Lili Lin, Lei Cai, Jianzhong Fan, Chuan‐Kui Wang

The Journal of Physical Chemistry C

DOI

2018

Influence of electron donating ability on reverse intersystem crossing rate for one kind of thermally activated delayed fluorescence molecules

Minglang Wang, Jianzhong Fan, Lili Lin

Chinese Journal of Chemical Physics

DOI

2018

Structure-property relationship of phosphine oxide based thermally activated delayed fluorescence molecules: First-principles study

Xiangpeng Kong, Lei Cai, Jianzhong Fan, Lili Lin

Organic Electronics

DOI

2018

Excited State Properties of a Thermally Activated Delayed Fluorescence Molecule in Solid Phase Studied by Quantum Mechanics/Molecular Mechanics Method

Jianzhong Fan, Yuchen Zhang, Yong Zhou, Lili Lin, Chuan‐Kui Wang

The Journal of Physical Chemistry C

DOI

2017

Luminescent properties of thermally activated delayed fluorescence molecule with intramolecular π – π interaction between donor and acceptor

Lei Cai, Jianzhong Fan, Xiangpeng Kong, Lili Lin, Chuan‐Kui Wang

Chinese Physics B

DOI

2017

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

Jianzhong Fan, Lili Lin, Chuan‐Kui Wang

Journal of Materials Chemistry C

DOI

2017

Excited state dynamics for hybridized local and charge transfer state fluorescent emitters with aggregation-induced emission in the solid phase: a QM/MM study

Jianzhong Fan, Lei Cai, Lili Lin, Chuan‐Kui Wang

Physical Chemistry Chemical Physics

DOI

2017

Molecular stacking effect on photoluminescence quantum yield and charge mobility of organic semiconductors

Jianzhong Fan, Lili Lin, Chuan‐Kui Wang

Physical Chemistry Chemical Physics

DOI

2017

Theoretical perspective of the excited state intramolecular proton transfer for a compound with aggregation induced emission in the solid phase

Lili Lin, Jianzhong Fan, Lei Cai, Chuan‐Kui Wang

RSC Advances

DOI

2017

Temperature dependence of electron mobility in N-type organic molecular crystals: Theoretical study

Lili Lin, Jianzhong Fan, Supu Jiang, Zhongjie Wang, Chuan‐Kui Wang

Chemical Physics Letters

DOI

2017

Theoretical perspective for internal quantum efficiency of thermally activated delayed fluorescence emitter in solid phase: A QM/MM study

Lili Lin, Jianzhong Fan, Chuan‐Kui Wang

Organic Electronics

DOI

2017

Excited state dynamics of new-type thermally activated delayed fluorescence emitters: theoretical view of light-emitting mechanism

Lili Lin, Jianzhong Fan, Lei Cai, Chuan‐Kui Wang

Molecular Physics

DOI

2017

Influence of donor and acceptor groups on the S-T energy gap for thermally activated delayed fluorescence emitters

Lei Cai, Jianzhong Fan, Lili Lin, Chuan‐Kui Wang

Molecular Physics

DOI

2016

三嗪基热活化延迟荧光发射体的第一性原理研究（英文）

范建忠，邱帅，蔺丽丽，王传奎

Chinese Journal of Chemical Physics

2016

Theoretical insights on the electroluminescent mechanism of thermally activated delayed fluorescence emitters

Lili Lin, Zhongjie Wang, Jianzhong Fan, Chuan‐Kui Wang

Organic Electronics

DOI

2016

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

Jianzhong Fan, Lei Cai, Lili Lin, Chuan‐Kui Wang

The Journal of Physical Chemistry A

DOI

2016

Understanding the light-emitting mechanism of an X-shape organic thermally activated delayed fluorescence molecule: First-principles study

Jianzhong Fan, Lei Cai, Lili Lin, Chuan‐Kui Wang

Chemical Physics Letters

DOI

2016

Efficient modulation of optical and electrical properties of X-shaped thermally activated delayed fluorescence emitters by substitution

Jianzhong Fan, Xin Wang, Lili Lin, Chuan‐Kui Wang

Journal of Molecular Modeling

DOI

2016

Modulating excited state properties of thermally activated delayed fluorescence molecules by tuning the connecting pattern

Jianzhong Fan, Lili Lin, Chuan‐Kui Wang

Theoretical Chemistry Accounts

DOI

2016

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

Jianzhong Fan, Shuai Qiu, Lili Lin, Chuan‐Kui Wang

Chinese Journal of Chemical Physics

DOI

2016

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

Jianzhong Fan, Lili Lin, Chuan‐Kui Wang

Chemical Physics Letters

DOI

2015

Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions

Wei Hu, Guangjun Tian, Sai Duan, Lili Lin, Yong Ma, Yi Luo

Chemical Physics

DOI

2014

Integrated Design of Organic Hole Transport Materials for Efficient Solid‐State Dye‐Sensitized Solar Cells

Bo Xu, Haining Tian, Lili Lin, Deping Qian, Hong Chen, Jinbao Zhang, Nick Vlachopoulos, Gerrit K. Boschloo, Yi Luo, Fengling Zhang, Anders Hagfeldt, Licheng Sun

Advanced Energy Materials

DOI

2011

分子器件弹性和非弹性电子输运性质的理论研究

蔺丽丽

《山东师范大学》

2011

Assignments of Inelastic Electron Tunneling Spectra of Semifluorinated Alkanethiol Molecular Junctions

Lili Lin, Bin Zou, Chuan‐Kui Wang, Yi Luo

The Journal of Physical Chemistry C

DOI

2011

Inelastic Electron Tunneling Spectroscopy of Gold−Benzenedithiol−Gold Junctions: Accurate Determination of Molecular Conformation

Lili Lin, Chuan‐Kui Wang, Yi Luo

ACS Nano

DOI

2010

Formation and electronic transport properties of bimolecular junctions based on aromatic coupling

Lili Lin, Xiu-Neng Song, Yi Luo, Chuan‐Kui Wang

Journal of Physics Condensed Matter

DOI

2010

Determination of the Configuration of a Single Molecule Junction by Inelastic Electron Tunneling Spectroscopy

Lili Lin, Xiu-Neng Song, Jiancai Leng, Zong‐Liang Li, Yi Luo, Chuan‐Kui Wang

The Journal of Physical Chemistry C

DOI

2009

Orientation of Decanethiol Molecules in Self-Assembled Monolayers Determined by Inelastic Electron Tunneling Spectroscopy

Jiancai Leng, Lili Lin, Xiu-Neng Song, Zong‐Liang Li, Chuan‐Kui Wang

The Journal of Physical Chemistry C

DOI

2009

Effect of Aromatic Coupling on Electronic Transport in Bimolecular Junctions

Lili Lin, Jiancai Leng, Xiu-Neng Song, Zong‐Liang Li, Yi Luo, Chuan‐Kui Wang

The Journal of Physical Chemistry C

DOI

2009

Simulations of inelastic electron tunneling spectroscopy of semifluorinated hexadecanethiol junctions

Chuan‐Kui Wang, Bin Zou, Xiu-Neng Song, Yingde Li, Zong‐Liang Li, Lili Lin

《物理学前沿：英文版》

DOI

精选作品

期刊论文

Balancing hybrid local and charge-transfer excited states and molecular rigidity for high-efficiency narrowband MR-TADF emitters: A theoretical study

Donor Engineering and Solid-State Confinement Enable Switchable RTP and TADF in Saccharin-Based Emitters

Substituent and Hydrostatic Pressure Regulation of Triplet Exciton Dynamics in Organic Room-Temperature Phosphorescent Crystals

Positional isomerism modulates triplet dynamics in organic room-temperature phosphorescence crystals

Theoretical study of thermally activated delayed fluorescence emitters with four-coordinate boron acceptors

Elucidating the role of α-type and β-type transitions in organic luminescent radicals: substituent-driven modulation of luminescence efficiency

Mechanisms of White-Light Emission and Pressure-Modulated Dual Emission in Weak Donor–Acceptor Systems: A Theoretical Perspective

Theoretical investigation of six-level energy engineering via excited-state double proton transfer for near-infrared organic lasers

Exploring red circularly polarized multiple resonance thermally activated delayed fluorescence mechanism: From theoretical insights to molecular design

Achieving Blue-Shifted and Optimal Room Temperature Phosphorescence Emission via Hydrostatic Pressure Effect: A Theoretical Perspective

Achieving efficient room-temperature phosphorescence through substituent planarity and intermolecular interaction regulation: A theoretical perspective

Unraveling the Dual-Emission Mechanisms and Pressure-Induced Response in Organic Polymorphic Room-Temperature Phosphorescence

Effect of electric field on the luminescent properties of thermally activated delayed fluorescence emitters

Unveiling Multichannel Triplet Excitons Up-Conversion Mechanisms in Blue Thermally Activated Delayed Fluorescence Emitters

Theoretical Investigation of High-Performance Pure Red Multiple Resonance Thermally Activated Delayed Fluorescence Organic Lasers with Suppressed Efficiency Roll-Off

Unraveling the photophysical properties of 4CzIPN doped in different hosts: a theoretical study

重原子效应对多重共振热活化延迟荧光分子发光性质的影响:理论见解（英文）

Luminescent mechanism and theoretical screening of all-donor molecules as potential TADF emitters

Barrierless conical intersection as a photophysical design principle for photoacoustic and photothermal contrast agents

Luminescence Study of DPAC-PCN Doped in Isomeric Host Materials

Mechanisms of Enhanced Efficiency and Stability in Perovskite Luminescence via Rb Interstitial Doping

Force–Light–Electric Three-Dimensional Dynamic Mechanism of Room-Temperature Phosphorescence Materials under Hydrostatic Pressure

Modulating circularly polarized luminescent and thermally activated delayed fluorescence properties by introducing chiral unit and extending acceptor unit strategies

Dimer emission mechanism for room temperature phosphorescence molecules with hydrostatic pressure responsive properties: a theoretical study

Modulating exciton transfer pathways via oxidation and n-π* transitions for efficient room-temperature phosphorescence

Pressure-Induced Monotonic Phosphorescence Enhancement in Organic Crystals: Spin–Orbit Coupling and Molecular Packing Strategies

Theoretical Insights into Halogen Substitution Effects on Room Temperature Phosphorescence in Twisted Halogenated Tetraphenylene Derivatives

Theoretical perspective for carbazole fusion effect on multiple resonance thermally activated delayed fluorescent properties

Theoretical study for constructing red multiple-resonance thermally activated delayed fluorescence molecules with narrowband emission by donor engineering strategy

Luminescence properties and mechanism studies of thermally activated delayed fluorescence molecules

How intermolecular interaction and hydrostatic pressure affect the organic room temperature phosphorescence properties: A QM/MM study

The role of heavy atom effect in regulating multiple-resonance and thermally activated delayed fluorescence features: A theoretical perspective

How Structure and Hydrostatic Pressure Impact Excited-State Properties of Organic Room-Temperature Phosphorescence Molecules: A Theoretical Perspective

热活化延迟荧光和室温磷光分子理论机制及研究进展（英文）

Hydrogen Bond “Double-Edged Sword Effect” on Organic Room-Temperature Phosphorescence Properties: A Theoretical Perspective

Theoretical perspective for molecular folding degree and heavy atom effect on room temperature phosphorescence properties

Heavy atom effect on the luminescent properties of multi-resonance thermally activated delayed fluorescence emitters: Theoretical insights

Exploration of red and deep red Thermally activated delayed fluorescence molecules constructed via intramolecular locking strategy

Theoretical insights on highly efficient X-shaped near-infrared thermal activation delayed fluorescence emitter

Theoretical Insights into the Photophysical Properties of 4CzIPN Doped in Different Hosts: A Multiscale Study

Role of Bridging Groups in Regulating the Luminescence and Charge Transfer Properties of Thermally Activated Delayed Fluorescence Molecules: A Theoretical Perspective

Regulation for photophysical properties of thermally activated delayed fluorescence molecules with through-space charge transfer by substitution effect

Self-doping mechanism for thermally activated delayed fluorescence molecules: a theoretical perspective

Conformational Isomerization Effect on Singlet/Triplet Energy Consumption Process of Thermally Activated Delayed Fluorescence Molecules with Aggregation Induced Emission: A QM/MM Study

Delineating conformation control in the room temperature phosphorescence and thermally activated delayed fluorescence behaviors: A first-principles investigation

Enhancing reverse intersystem crossing and horizontal dipole orientation for near-infrared thermally activated delayed fluorescence molecules by donor engineering strategy

Theoretical design and performance prediction of deep red/near-infrared thermally activated delayed fluorescence molecules with through space charge transfer

Modulation of luminescence properties of circularly polarized thermally activated delayed fluorescence molecules with axial chirality by donor engineering

Effect of aggregation on thermally activated delayed fluorescence and ultralong organic phosphorescence: QM/MM study

Thermally activated delayed fluorescence emitters with bulky four-coordinate boron acceptors for high-performance solution-processed OLEDs

Exploring the luminescence properties and sensing mechanism of a turn-on TADF probe for sulfite

Theoretical study on the influence of substitution position on the luminescence properties and charge transfer characteristics of thermally activated delayed fluorescent molecules

Theoretical perspective for structural isomerism effect on photoelectric properties of organic room temperature phosphorescence molecules

Isomer engineering for red thermally activated delayed fluorescence molecules: Luminescence mechanism study and rational molecular design

Acceptor engineering for modulating circularly polarized luminescence and thermally activated delayed fluorescence properties

Role of halogen effects and cyclic imide groups in constructing red and near-infrared room temperature phosphorescence molecules: theoretical perspective and molecular design

The impact of aggregation of AIE and ACQ moiety-integrating material on the excited state dynamics

Theoretical exploration of the bromine substitution effect and hydrostatic pressure responsive mechanism for room temperature phosphorescence

Multi-resonance thermally activated delayed fluorescence molecules with intramolecular-lock: theoretical design and performance prediction

Controllable construction of red thermally activated delayed fluorescence molecules based on a spiro-acridine donor

Theoretical study on thermally activated delayed fluorescent molecules based on space charge transfer

Exploration on dual emission mechanism of CPzP and CPzPO with thermally activated delayed fluorescence

Theoretical perspective for the relationship between molecular structures and circularly polarised thermally activated delayed fluorescence properties

Theoretical perspective for substitution effect on luminescent properties of through space charge transfer-based thermally activated delayed fluorescence molecules

Theoretical study and molecular design of thermally activated delayed fluorescence molecules based on intramolecular-locked strategy

Theoretical insights into room temperature phosphorescence emission with anti-Kasha behavior in aggregate

Novel Deep Red Thermally Activated Delayed Fluorescence Molecule with Aggregation-Induced Emission Enhancement: Theoretical Design and Experimental Validation

Insights on isomeric emitters with thermally activated delayed fluorescence: Comparison between solvent and crystal state

Theoretical perspective of relationship between molecular structure and luminescence properties for circularly polarized thermally activated delayed fluorescence

Theoretical Study on the Light-Emitting Mechanism of Multifunctional Thermally Activated Delayed Fluorescence Molecules

The mechanism of intramolecular halogen bonding enhanced the quantum efficiency of ultralong organic phosphorescence in the aggregated state

Theoretical studies on the excited-state properties of thermally activated delayed fluorescence molecules with aggregation induced emission

Efficient deep red/near-infrared thermally activated delayed fluorescence emitters via molecular reconstruction: theoretical insights

A theoretical perspective of the relationship between the structures and luminescence properties of red thermally activated delayed fluorescence molecules

Theoretical verification of intermolecular hydrogen bond induced thermally activated delayed fluorescence in SOBF-OMe*

Structural Isomerization Effect on the Triplet Energy Consumption Process of Organic Room-Temperature Phosphorescence Molecules: A QM/MM Study

A QM/MM study on through space charge transfer-based thermally activated delayed fluorescence molecules in the solid state

Structure–property relationship study of blue thermally activated delayed fluorescence molecules with different donor and position substitutions: theoretical perspective and molecular design