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Nature of Highly Efficient Thermally Activated Delayed Fluorescence in Organic Light-Emitting Diode Emitters: Nonadiabatic Effect between Excited States

Journal of physical chemistry. C, 2015-05, Vol.119 (18), p.9728-9733

2015

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Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ

Physical chemistry chemical physics : PCCP, 2018-02, Vol.20 (5), p.3784-3794

2018

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In-depth theoretical analysis of the influence of an external electric field on charge transport parameters

Chemical science (Cambridge), 2024-03, Vol.15 (12), p.443-4415

2024

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Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (15), p.1313-1324

2023

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Theoretical Study on the Electronic Structures and Charge Transport Properties of a Series of Rubrene Derivatives

Journal of physical chemistry. C, 2018-09, Vol.122 (37), p.21226-21238

2018

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A Promising Approach to Obtain Excellent n-Type Organic Field-Effect Transistors: Introducing Pyrazine Ring

Journal of physical chemistry. C, 2011-11, Vol.115 (43), p.21416-21428

2011

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Theoretical study on the charge transport properties of three series of dicyanomethylene quinoidal thiophene derivatives

Physical chemistry chemical physics : PCCP, 2019-02, Vol.21 (6), p.3044-3058

2019

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Halogenated Tetraazapentacenes with Electron Mobility as High as 27.8 cm2 V−1 s−1 in Solution‐Processed n‐Channel Organic Thin‐Film Transistors

Advanced materials (Weinheim), 2018-09, Vol.30 (38), p.e1803467-n/a

2018

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Rational design of bio-inspired high-performance ambipolar organic semiconductor materials based on indigo and its derivatives

Organic electronics, 2015-09, Vol.24, p.12-25

2015

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Theoretical study of synergetic effect between halogenation and pyrazine substitutions on transport properties of silylethynylated pentacene

New journal of chemistry, 2019, Vol.43 (8), p.3583-3600

2019

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Are Triphenylamine-Functionalized or Carbazole-Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective

Chemistry : a European journal, 2014-04, Vol.20 (16), p.4671-4680

2014

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Charge transport properties in a series of five-ring-fused thienoacenes: A quantum chemistry and molecular mechanic study

Organic electronics, 2013-02, Vol.14 (2), p.607-620

2013

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Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors

Journal of the American Chemical Society, 2019-02, Vol.141 (8), p.3589-3596

2019

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The effect of heteroatoms at end groups of anthracene derivatives on the photoelectric properties and crystal/film morphology: a theoretical perspective

Journal of materials chemistry. C, Materials for optical and electronic devices, 2023-10, Vol.11 (38), p.1318-1329

2023

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How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes?—a theoretical study

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (43), p.19490-19498

2011

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Effects of Hydrostatic Pressure on Charge-Transport Properties of Anthracene-Based Derivatives with Different Stacking Patterns: A Theoretical Study

Journal of physical chemistry. C, 2023-11, Vol.127 (44), p.21794-21805

2023

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Theoretical investigations into the charge transfer properties of thiophene α-substituted naphthodithiophene diimides: excellent n-channel and ambipolar organic semiconductors

Physical chemistry chemical physics : PCCP, 2017-05, Vol.19 (21), p.13978-13993

2017

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Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

Organic electronics, 2012-12, Vol.13 (12), p.2832-2842

2012

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Theoretical study on the regulation of molecular stacking and charge transport properties of Nitrogen-heteroacene derivatives containing benzocyclobutadiene

Dyes and pigments, 2024-09, Vol.228, p.112223, Article 112223

2024

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Theoretical investigations on the charge transport properties of anthracene derivatives with aryl substituents at the 2,6-position-thermally stable "herringbone" stacking motifs

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (22), p.12679-12691

2021

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Theoretical Study on Charge Transport Properties of Intra- and Extra-Ring Substituted Pentacene Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-04, Vol.120 (15), p.2390-2400

2016

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Halogenated Tetraazapentacenes with Electron Mobility as High as 27.8 cm 2 V -1 s -1 in Solution-Processed n-Channel Organic Thin-Film Transistors

Advanced materials (Weinheim), 2018-09, Vol.30 (38), p.e1803467

2018

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Theoretical Investigations into the Electron and Ambipolar Transport Properties of Anthracene-Based Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-04, Vol.123 (15), p.3300-3314

2019

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The roles of heteroatoms and substituents on the molecular packing motif from herringbone to π-stacking: A theoretical study on electronic structures and intermolecular interaction of pentacene derivatives

Organic electronics, 2020-03, Vol.78, p.105606, Article 105606

2020

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Understanding the effects of the number of pyrazines and their positions on charge-transport properties in silylethynylated N-heteropentacenes

Journal of molecular modeling, 2014-11, Vol.20 (11), p.2502-2502, Article 2502

2014

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Nature of Highly Efficient Thermally Activated Delayed Fluorescence in Organic Light-Emitting Diode Emitters: Nonadiabatic Effect between Excited States

Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ

In-depth theoretical analysis of the influence of an external electric field on charge transport parameters

Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

Theoretical Study on the Electronic Structures and Charge Transport Properties of a Series of Rubrene Derivatives

A Promising Approach to Obtain Excellent n-Type Organic Field-Effect Transistors: Introducing Pyrazine Ring

Theoretical study on the charge transport properties of three series of dicyanomethylene quinoidal thiophene derivatives

Halogenated Tetraazapentacenes with Electron Mobility as High as 27.8 cm2 V−1 s−1 in Solution‐Processed n‐Channel Organic Thin‐Film Transistors

Rational design of bio-inspired high-performance ambipolar organic semiconductor materials based on indigo and its derivatives

Theoretical study of synergetic effect between halogenation and pyrazine substitutions on transport properties of silylethynylated pentacene

Are Triphenylamine-Functionalized or Carbazole-Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective

Charge transport properties in a series of five-ring-fused thienoacenes: A quantum chemistry and molecular mechanic study

Crystal Engineering of Biphenylene-Containing Acenes for High-Mobility Organic Semiconductors

The effect of heteroatoms at end groups of anthracene derivatives on the photoelectric properties and crystal/film morphology: a theoretical perspective

How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes?—a theoretical study

Effects of Hydrostatic Pressure on Charge-Transport Properties of Anthracene-Based Derivatives with Different Stacking Patterns: A Theoretical Study

Theoretical investigations into the charge transfer properties of thiophene α-substituted naphthodithiophene diimides: excellent n-channel and ambipolar organic semiconductors

Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

Theoretical study on the regulation of molecular stacking and charge transport properties of Nitrogen-heteroacene derivatives containing benzocyclobutadiene

Theoretical investigations on the charge transport properties of anthracene derivatives with aryl substituents at the 2,6-position-thermally stable "herringbone" stacking motifs

Theoretical Study on Charge Transport Properties of Intra- and Extra-Ring Substituted Pentacene Derivatives

Halogenated Tetraazapentacenes with Electron Mobility as High as 27.8 cm 2 V -1 s -1 in Solution-Processed n-Channel Organic Thin-Film Transistors

Theoretical Investigations into the Electron and Ambipolar Transport Properties of Anthracene-Based Derivatives

The roles of heteroatoms and substituents on the molecular packing motif from herringbone to π-stacking: A theoretical study on electronic structures and intermolecular interaction of pentacene derivatives

Understanding the effects of the number of pyrazines and their positions on charge-transport properties in silylethynylated N-heteropentacenes

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