Dr Xiuwen Zhou
Dr

Xiuwen Zhou

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Background

Xiuwen Zhou received her PhD in 2014 from the University of Geneva (Switzerland), where she worked with Prof Tomasz A. Wesolowski, who is recognized as the co-inventor of Frozen-Density Embedding Theory (FDET) alongside Nobel laureate Prof. Arieh Warshel (co-winner of the 2013 Nobel Prize in Chemistry). Then she moved to the University of Queensland (UQ) as a visiting scholar, supported by two awarded fellowships, i.e., a Swiss National Science Foundation (SNSF) Early Postdoc Mobility Fellowship (2015) and an Australian-APEC Women in Research Fellowship (2016). She then took up a UQ Development Fellowship in 2017, working as a teaching and research fellow at UQ School of Mathematics and Physics. Later, she was awarded an Australian Research Council Discovery Early Career Researcher Award (ARC DECRA) commencing in 2019.

Availability

Dr Xiuwen Zhou is:
Available for supervision

Fields of research

Chemical Sciences Condensed matter physics Physical Sciences Physical chemistry

Qualifications

  • Doctor of Philosophy, University of Geneva

Research interests

  • Modelling of large-scale systems

    Dr Xiuwen Zhou is a theoretician in the interdisciplinary area of physics and chemistry. Her research interest is to solve problems in chemistry and condensed-matter physics by computer modelling. One of her interests is to answer questions on the quantum properties of large-scale systems such as biological systems, porous solid systems, and solvation systems using multiscale modelling methods (eg, Frozen-Density Embedding Theory)

  • Rational design of functional molecules/materials

    Current focus is on the design of light-emitting fluorophores/phosphors and optical chemical sensors

  • Dynamics of molecular excited states

    Investigating the dynamics of molecular excited states using Car–Parrinello Molecular Dynamics (CPMD) method

  • Strongly-correlated molecular crystals

    Developing the parameters for the effective Hamiltonian for molecular crystals with first-principles methods (eg, DFT)

Search Professor Xiuwen Zhou’s works on UQ eSpace

48 works between 2009 and 2025
All (48) Journal Article (48)

21 - 40 of 48 works

2022

Journal Article

Iridium(III) phosphors–bearing functional 9‐Phenyl‐7,9‐dihydro‐8H‐purin‐8‐ylidene chelates and blue hyperphosphorescent OLED devices

Jin, Jibiao, Zhu, Zelin, Yan, Jie, Zhou, Xiuwen, Cao, Chen, Chou, Pi-Tai, Zhang, Ye-Xin, Zheng, Zhong, Lee, Chun-Sing and Chi, Yun (2022). Iridium(III) phosphors–bearing functional 9‐Phenyl‐7,9‐dihydro‐8H‐purin‐8‐ylidene chelates and blue hyperphosphorescent OLED devices. Advanced Photonics Research, 3 (7) 2100381, 2100381. doi: 10.1002/adpr.202100381

Iridium(III) phosphors–bearing functional 9‐Phenyl‐7,9‐dihydro‐8H‐purin‐8‐ylidene chelates and blue hyperphosphorescent OLED devices

2021

Journal Article

Homoleptic Ir(III) phosphors with 2-phenyl-1,2,4-triazol-3-ylidene chelates for efficient blue organic light-emitting diodes

You, Caifa, Wang, Xue-Qi, Zhou, Xiuwen, Yuan, Yi, Liao, Liang-Sheng, Liao, Yu-Chan, Chou, Pi-Tai and Chi, Yun (2021). Homoleptic Ir(III) phosphors with 2-phenyl-1,2,4-triazol-3-ylidene chelates for efficient blue organic light-emitting diodes. ACS Applied Materials and Interfaces, 13 (49), 59023-59034. doi: 10.1021/acsami.1c17308

Homoleptic Ir(III) phosphors with 2-phenyl-1,2,4-triazol-3-ylidene chelates for efficient blue organic light-emitting diodes

2021

Journal Article

Rational tuning of bis-tridentate Ir(III) phosphors to deep-blue with high efficiency and sub-microsecond lifetime

Tai, Wun-Shan, Gnanasekaran, Premkumar, Chen, Yi-Yang, Hung, Wen-Yi, Zhou, Xiuwen, Chou, Tai-Che, Lee, Gene-Hsiang, Chou, Pi-Tai, You, Caifa and Chi, Yun (2021). Rational tuning of bis-tridentate Ir(III) phosphors to deep-blue with high efficiency and sub-microsecond lifetime. ACS Applied Materials and Interfaces, 13 (13), 15437-15447. doi: 10.1021/acsami.1c00238

Rational tuning of bis-tridentate Ir(III) phosphors to deep-blue with high efficiency and sub-microsecond lifetime

2020

Journal Article

Quantitative calculations of the non-radiative rate of phosphorescent Ir(iii) complexes

Zhou, Xiuwen and Powell, Benjamin J. (2020). Quantitative calculations of the non-radiative rate of phosphorescent Ir(iii) complexes. Physical Chemistry Chemical Physics, 22 (46), 27348-27356. doi: 10.1039/d0cp04709k

Quantitative calculations of the non-radiative rate of phosphorescent Ir(iii) complexes

2020

Journal Article

Tuning the optical properties of N-aryl benzothiadiazole via Cu(ii)-catalyzed intramolecular C–H amination: the impact of the molecular structure on aggregation and solid state luminescence

Zhao, Yingnan, Ding, Jie, Han, Xiao, Geng, Ting, Zhou, Xiuwen, Hu, Chen, Wang, Yashu, Xiao, Guanjun, Zou, Bo and Hou, Hongwei (2020). Tuning the optical properties of N-aryl benzothiadiazole via Cu(ii)-catalyzed intramolecular C–H amination: the impact of the molecular structure on aggregation and solid state luminescence. Organic Chemistry Frontiers, 7 (23), 3853-3861. doi: 10.1039/d0qo00915f

Tuning the optical properties of N-aryl benzothiadiazole via Cu(ii)-catalyzed intramolecular C–H amination: the impact of the molecular structure on aggregation and solid state luminescence

2020

Journal Article

Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes

Tai, Wun-Shan, Hsu, Ling-Yang, Hung, Wen-Yi, Chen, Yi-Yang, Ko, Chang-Lun, Zhou, Xiuwen, Yuan, Yi, Jen, Alex K.-Y. and Chi, Yun (2020). Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes. Journal of Materials Chemistry C, 8 (39), 13590-13602. doi: 10.1039/d0tc03453c

Methoxy-substituted bis-tridentate iridium(iii) phosphors and fabrication of blue organic light emitting diodes

2019

Journal Article

Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters

Hsu, Ling-Yang, Liang, Qiumin, Wang, Zhiheng, Kuo, Hsin-Hung, Tai, Wun-Shan, Su, Shi-Jian, Zhou, Xiuwen, Yuan, Yi and Chi, Yun (2019). Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters. Chemistry - A European Journal, 25 (67) chem.201903707, 15375-15386. doi: 10.1002/chem.201903707

Bis-tridentate Ir-III phosphors bearing two fused five-six-membered metallacycles: a strategy to improved photostability of blue emitters

2019

Journal Article

Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors

Gnanasekaran, Premkumar, Yuan, Yi, Lee, Chun-Sing, Zhou, Xiuwen, Jen, Alex K.-Y. and Chi, Yun (2019). Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors. Inorganic Chemistry, 58 (16) acs.inorgchem.9b01383, 10944-10954. doi: 10.1021/acs.inorgchem.9b01383

Realization of highly efficient red phosphorescence from Bis-Tridentate Iridium(III) phosphors

2018

Journal Article

Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes

Zhou, Xiuwen and Powell, Benjamin J. (2018). Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes. Inorganic Chemistry, 57 (15) acs.inorgchem.8b00800, 8881-8889. doi: 10.1021/acs.inorgchem.8b00800

Nonradiative decay and stability of N-heterocyclic carbene iridium(III) complexes

2017

Journal Article

Correction to bond fission and non-radiative decay in iridium(III) complexes

Zhou, Xiuwen, Burn, Paul L and Powell, Benjamin J (2017). Correction to bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 56 (13), 7574-7574. doi: 10.1021/acs.inorgchem.7b01260

Correction to bond fission and non-radiative decay in iridium(III) complexes

2017

Journal Article

Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes

Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2017). Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes. Journal of Chemical Physics, 146 (17) 174305, 174305-1-174305-6. doi: 10.1063/1.4981797

Effect of n-propyl substituents on the emission properties of blue phosphorescent iridium(iii) complexes

2017

Journal Article

Aggregates of diketopyrrolopyrrole dimers in solution

Wawrzinek, Robert, Zhou, Xiuwen, Ullah, Mujeeb, Namdas, Ebinazar B. and Lo, Shih-Chun (2017). Aggregates of diketopyrrolopyrrole dimers in solution. Dyes and Pigments, 136, 678-685. doi: 10.1016/j.dyepig.2016.08.064

Aggregates of diketopyrrolopyrrole dimers in solution

2016

Journal Article

Bond fission and non-radiative decay in iridium(III) complexes

Zhou, Xiuwen, Burn, Paul L. and Powell, Benjamin J. (2016). Bond fission and non-radiative decay in iridium(III) complexes. Inorganic Chemistry, 55 (11), 5266-5273. doi: 10.1021/acs.inorgchem.6b00219

Bond fission and non-radiative decay in iridium(III) complexes

2015

Journal Article

Frozen-density embedding strategy for multilevel simulations of electronic structure

Wesolowski, Tomasz A., Shedge, Sapana and Zhou, Xiuwen (2015). Frozen-density embedding strategy for multilevel simulations of electronic structure. Chemical Reviews, 115 (12), 5891-5928. doi: 10.1021/cr500502v

Frozen-density embedding strategy for multilevel simulations of electronic structure

2014

Journal Article

Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153

Shedge, Sapana V., Zhou, Xiuwen and Wesolowski, Tomasz A. (2014). Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153. Chimia, 68 (9), 609-614. doi: 10.2533/chimia.2014.609

Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153

2014

Journal Article

Spectral tuning of rhodopsin and visual cone pigments

Zhou, Xiuwen, Sundholm, Dage, Wesolowski, Tomasz A. and Kaila, Ville R. I. (2014). Spectral tuning of rhodopsin and visual cone pigments. Journal of the American Chemical Society, 136 (7), 2723-2726. doi: 10.1021/ja411864m

Spectral tuning of rhodopsin and visual cone pigments

2014

Journal Article

How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?

Humbert-Droz, Marie, Zhou, Xiuwen, Shedge, Sapana V. and Wesolowski, Tomasz A. (2014). How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 133 (1) 1405, 1-20. doi: 10.1007/s00214-013-1405-1

How to choose the frozen density in frozen-density embedding theory-based numerical simulations of local excitations?

2013

Journal Article

First-principles simulation of the absorption bands of fluorenone in zeolite L

Zhou, Xiuwen, Wesolowski, Tomasz A., Tabacchi, Gloria, Fois, Ettore, Calzaferri, Gion and Devaux, Andre (2013). First-principles simulation of the absorption bands of fluorenone in zeolite L. Physical Chemistry Chemical Physics, 15 (1), 159-167. doi: 10.1039/c2cp42750h

First-principles simulation of the absorption bands of fluorenone in zeolite L

2011

Journal Article

Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case

Zhou, Xiuwen, Kaminski, Jakub W. and Wesolowski, Tomasz A. (2011). Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case. Physical Chemistry Chemical Physics, 13 (22), 10565-10576. doi: 10.1039/c0cp02874f

Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case

2011

Journal Article

Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy

Cheng, Fang, Liu, Ting-Yu, Zhang, Qi-Ren, Qiao, Hai-Ling and Zhou, Xiu-Wen (2011). Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy. Chinese Physics Letters, 28 (3) 036106, 036106. doi: 10.1088/0256-307X/28/3/036106

Computer simulation of the electronic structures and absorption spectra for a KMgF3 crystal containing a potassium vacancy

Current funding

  • 2024 - 2027
    Atomic-Scale Engineering of Bioactive Organic Molecules on Surfaces
    ARC Discovery Projects
    Open grant

Past funding

  • 2019 - 2024
    Rational design of light-emitting materials for lighting and displays
    ARC Discovery Early Career Researcher Award
    Open grant
  • 2017 - 2019
    Rational design of light-emitting plastics for next generation lighting and displays
    UQ Development Fellowships
    Open grant

Availability

Dr Xiuwen Zhou is:
Available for supervision

Looking for a supervisor? Read our advice on how to choose a supervisor.

Available projects

  • Modelling the light-emitting molecules/materials

    Organic light-emitting diodes (OLEDs) are widely viewed as the basis for next generation displays and lighting. However, to apply this technology widely and for it to reach its full potential, improvements in the emission efficiency and device lifetime are vital. So far, the development of blue, and especially deep blue light-emitting materials (emitters) in OLEDs has progressed relatively slowly. Therefore being able to predict the key photophysical properties prior to the chemical synthesis and measurement of properties is of crucial importance for the discovery of new highly efficient blue emitters. In this project you will develop supercomputer modeling strategies for the design of new emitters in OLEDs. You will apply state-of-the-art molecular simulation methods, e.g., electronic structure methods based on density functional theory, big-data approach and multi-scale simulation methods. This project is particularly suitable for students interested in the challenges at the interface of physics and chemistry.

Supervision history

Current supervision

  • Doctor Philosophy

    Computer-aided material discovery for light-emitting materials in OLEDs

    Principal Advisor

    Other advisors: Professor Ben Powell

Completed supervision

Enquiries

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communications@uq.edu.au