Zhigang Shuai

Research.com Recognitions

• 2011 - Member of Academia Europaea

Overview

Best Publications

• Efficient Degradation of Toxic Organic Pollutants with Ni2O3/TiO2-xBx under Visible Irradiation

  Wei Zhao;Wanhong Ma;Chuncheng Chen;Jincai Zhao

  1457
  Citations

• Electronic structure and carrier mobility in graphdiyne sheet and nanoribbons: theoretical predictions

  Mengqiu Long;Ling Tang;Dong Wang;Yuliang Li

  975
  Citations

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

  Weijun Zhao;Zikai He;Jacky W.Y. Lam;Qian Peng

  770
  Citations

• White light emission from a single organic molecule with dual phosphorescence at room temperature.

  Zikai He;Zikai He;Weijun Zhao;Jacky W. Y. Lam;Qian Peng

  764
  Citations

• First-principles prediction of charge mobility in carbon and organic nanomaterials

  Jinyang Xi;Mengqiu Long;Ling Tang;Dong Wang

  689
  Citations

• Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys

  Yanfeng Chen;Jinyang Xi;Dumitru O. Dumcenco;Zheng Liu

  679
  Citations

• Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles.

  Gui Yu;Shiwei Yin;Yunqi Liu;Jiangshan Chen

  573
  Citations

• Efficient and Long-Lived Room-Temperature Organic Phosphorescence: Theoretical Descriptors for Molecular Designs

  Huili Ma;Huili Ma;Qian Peng;Zhongfu An;Wei Huang

  561
  Citations

• Toward quantitative prediction of molecular fluorescence quantum efficiency: role of duschinsky rotation.

  Qian Peng;Yuanping Yi;Zhigang Shuai;Jiushu Shao

  534
  Citations

• Computational methods for design of organic materials with high charge mobility

  Linjun Wang;Guangjun Nan;Xiaodi Yang;Qian Peng

  517
  Citations

• A facile strategy for realizing room temperature phosphorescence and single molecule white light emission

  Jianguo Wang;Xinggui Gu;Xinggui Gu;Huili Ma;Qian Peng

  492
  Citations

• Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction.

  Jianming Chen;Jinyang Xi;Dong Wang;Zhigang Shuai;Zhigang Shuai

  478
  Citations

• Theory of excited state decays and optical spectra: application to polyatomic molecules.

  Yingli Niu;Qian Peng;Chunmei Deng;Xing Gao

  478
  Citations

• Role of dimensionality on the two-photon absorption response of conjugated molecules: The case of octupolar compounds

  D. Beljonne;W. Wenseleers;Egbert Zojer;Z. Shuai

  463
  Citations

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

  Zhigang Shuai;Qian Peng

  456
  Citations

• MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials

  Yingli Niu;Wenqiang Li;Qian Peng;Hua Geng

  437
  Citations

• Spin-Orbit Coupling and Intersystem Crossing in Conjugated Polymers: A Configuration Interaction Description

  D. Beljonne;Z. Shuai;G. Pourtois;J. L. Bredas

  422
  Citations

• Highly Efficient Thermally Activated Delayed Fluorescence via J-Aggregates with Strong Intermolecular Charge Transfer.

  Jie Xue;Qingxin Liang;Rui Wang;Jiayue Hou

  411
  Citations

• Charge separation in localized and delocalized electronic states in polymeric semiconductors

  Anna Köhler;D. A. dos Santos;David Beljonne;Z. Shuai

  400
  Citations

• Excited-State Electronic Structure of Conjugated Oligomers and Polymers: A Quantum-Chemical Approach to Optical Phenomena

  Jean-Luc Brédas;Jérôme Cornil;David Beljonne;Donizetti A. dos Santos

  396
  Citations

• Structures, electronic states, and electroluminescent properties of a zinc(II) 2-(2-hydroxyphenyl)benzothiazolate complex.

  Gui Yu;Shiwei Yin;Yunqi Liu;Zhigang Shuai

  389
  Citations

• Influences of Crystal Structures and Molecular Sizes on the Charge Mobility of Organic Semiconductors: Oligothiophenes

  Xiaodi Yang;Linjun Wang;Caili Wang;Wei Long

  351
  Citations