Zhigang Shuai - Dissemin

All papers authored by Zhigang Shuai

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2018 Yajing Sun

, Zhigang Shuai

, Dong Wang

Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics

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Feifei He, Changli Cheng, Hua Geng

, Yuanping Yi

, Zhigang Shuai

Effect of donor length on electronic structures and charge transport polarity for DTDPP-based D–A copolymers: a computational study based on a super-exchange model

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2016 Jiajun Ren

, Yuanping Yi

, Zhigang Shuai

Inner Space Perturbation Theory in Matrix Product States: Replacing Expensive Iterative Diagonalization

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Yajing Sun, Dong Wang, Zhigang Shuai

Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction

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Huili Ma, Wen Shi, Jiajun Ren

, Wenqiang Li, Qian Peng, Zhigang Shuai

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

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Zongpeng Zhang, Lang Jiang, Changli Cheng, Yonggang Zhen, Guangyao Zhao, Hua Geng, Yuanping Yi

, Liqiang Li, Huanli Dong, Zhigang Shuai

, Wenping Hu

The Impact of Interlayer Electronic Coupling on Charge Transport in Organic Semiconductors: A Case Study on Titanylphthalocyanine Single Crystals

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Ablikim Obolda, Qiming Peng, Chuanyou He, Tian Zhang, Jiajun Ren

, Hongwei Ma, Zhigang Shuai

, Feng Li

Triplet-Polaron-Interaction-Induced Upconversion from Triplet to Singlet: a Possible Way to Obtain Highly Efficient OLEDs

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Tianqi Zhao, Wen Shi, Jinyang Xi, Dong Wang, Zhigang Shuai

Intrinsic and Extrinsic Charge Transport in CH3NH3PbI3 Perovskites Predicted from First-Principles

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Xiaoyan Zheng, Qian Peng, Lizhe Zhu, Yujun Xie, Xuhui Huang, Zhigang Shuai

Unraveling the aggregation effect on amorphous phase AIE luminogens: a computational study

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Qian Peng, Qinghua Shi, Yingli Niu, Yuanping Yi

, Shaorui Sun, Wenqiang Li, Zhigang Shuai

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

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Yuqian Jiang, Xinxin Zhong, Wen Shi, Qian Peng, Hua Geng, Yi Zhao, Zhigang Shuai

Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors

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Yunke Qin, Changli Cheng, Hua Geng, Chao Wang, Wenping Hu, Wei Xu, Zhigang Shuai

, Daoben Zhu

Efficient ambipolar transport properties in alternate stacking donor–acceptor complexes: from experiment to theory

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Zhiying Ma, Hua Geng, Dong Wang, Zhigang Shuai

Influence of alkyl side-chain length on the carrier mobility in organic semiconductors: herringbone vs. pi–pi stacking

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Weijun Zhao, Zikai He, Jacky W. Y. Lam, Qian Peng, Huili Ma, Zhigang Shuai

, Gongxun Bai, Jianhua Hao, Benzhong Tang

Rational Molecular Design for Achieving Persistent and Efficient Pure Organic Room-Temperature Phosphorescence

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Tian Zhang, Qian Peng, Changyun Quan, Han Nie, Yingli Niu, Yujun Xie, Zujin Zhao, Ben Zhong Tang, Zhigang Shuai

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

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2015 Rongjin Li, Xiaotao Zhang, Huanli Dong, Qikai Li, Zhigang Shuai

, Wenping Hu

Gibbs-Curie-Wulff Theorem in Organic Materials: A Case Study on the Relationship between Surface Energy and Crystal Growth

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Zikai He, Liuqing Zhang, Ju Mei, Tian Zhang, Jacky W. Y. Lam, Zhigang Shuai

, Yong Qiang Dong, Ben Zhong Tang

Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes

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Wen Shi, Tianqi Zhao, Jinyang Xi, Dong Wang, Zhigang Shuai

Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties

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Hongtao Zhang, Jingshu Hui, Hongliang Chen, Jianming Chen, Wei Xu, Zhigang Shuai

, Daoben Zhu, Xuefeng Guo

Synergistic Photomodulation of Capacitive Coupling and Charge Separation Toward Functional Organic Field-Effect Transistors with High Responsivity

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Yujun Xie, Tian Zhang, Zhen Li, Qian Peng, Zhigang Shuai

, Yuanping Yi

Influences of Conjugation Extent on the Aggregation-Induced Emission Quantum Efficiency in Silole Derivatives: A Computational Study

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All papers authored by Zhigang Shuai