A collection of 11 peer-reviewed research articles across condensed matter physics, first-principles simulations, polaron theory, and materials design.
First-Author Publications
2025First AuthorFeatured
First-Principles Study of Polarons in Multiple Crystal Phases of Bismuth Vanadate: Formation, Structure, Transport, and Optical Transitions
menu_bookThe Journal of Physical Chemistry C 129.42 (2025): 19190–19198.
description
Polaron formation, optical transitions, and transport mechanisms in bismuth vanadate (BiVO₄) polymorphs are systematically investigated via DFT+U. We elucidate the microscopic origin of polaron hopping barriers across monoclinic scheelite, tetragonal scheelite, and zircon phases.
@article{jiang2025first,
title = {First-Principles Study of Polarons in Multiple Crystal Phases of Bismuth Vanadate: Formation, Structure, Transport, and Optical Transitions},
author = {Jiang, Xiao and Cheng, Xu and Liu, Zhanqi and Ding, Liyun and Han, Weihua},
journal = {The Journal of Physical Chemistry C},
volume = {129},
number = {42},
pages = {19190--19198},
year = {2025},
publisher = {ACS Publications},
doi = {10.1021/acs.jpcc.5c05875}
}
2025First Author
Understanding Polaron Dynamics in CeO₂ for Advanced Catalytic Material Design: A Comprehensive DFT+U Exploration
menu_bookPhysical Chemistry Chemical Physics 27 (2025): 21673–21682.
description
Uncovering the asymmetry between localized Holstein electron polarons on Ce 4f orbitals and delocalized Fröhlich hole polarons in ceria (CeO₂), establishing design principles for polaron-mediated catalytic activity.
@article{jiang2025understanding,
title = {Understanding Polaron Dynamics in CeO$_{2}$ for Advanced Catalytic Material Design: A Comprehensive DFT+U Exploration},
author = {Jiang, Xiao and Cheng, Xu and Liu, Zhanqi and Ding, Liyun and Han, Weihua},
journal = {Physical Chemistry Chemical Physics},
volume = {27},
pages = {21673--21682},
year = {2025},
publisher = {Royal Society of Chemistry},
doi = {10.1039/D5CP02631H}
}
2022First Author
Microscopic Mechanism of Transition Metal and Polaron in Rare-Earth Sm-Doped CeO₂ for Low Dielectric Loss
Xiao Jiang, Xu Cheng, Kun Tao, Qing Su, Erqing Xie, Weihua Han*.
menu_bookJournal of Applied Physics 131.6 (2022): 063901.
@article{jiang2022microscopic,
title = {Microscopic Mechanism of Transition Metal and Polaron in Rare-Earth Sm-Doped CeO$_{2}$ for Low Dielectric Loss},
author = {Jiang, Xiao and Cheng, Xu and Tao, Kun and Su, Qing and Xie, Erqing and Han, Weihua},
journal = {Journal of Applied Physics},
volume = {131},
number = {6},
pages = {063901},
year = {2022},
publisher = {AIP Publishing},
doi = {10.1063/5.0080794}
}
2018First Author
Carbon Quantum Dots Based Charge Bridge Between Photoanode and Electrocatalysts for Efficiency Water Oxidation Performance
@article{jiang2018carbon,
title = {Carbon Quantum Dots Based Charge Bridge Between Photoanode and Electrocatalysts for Efficiency Water Oxidation Performance},
author = {Jiang, Xiao and Zhang, Zemin and Mei, Junfeng and Han, Dongyan and Xie, Mingzheng and Wang, Fangcong and Xie, Erqing and Han, Weihua},
journal = {Electrochimica Acta},
volume = {273},
pages = {208--215},
year = {2018},
publisher = {Elsevier},
doi = {10.1016/j.electacta.2018.04.052}
}
Co-authored Publications
2025ACS Nano
Catalytic Effect of Gray Gallium Nitride for Hydrogen Peroxide Generation: Insights into Mechanical Stimuli-Driven Semiconductor-Liquid Interface Alteration
@article{liu2025catalytic,
title = {Catalytic Effect of Gray Gallium Nitride for Hydrogen Peroxide Generation: Insights into Mechanical Stimuli-Driven Semiconductor--Liquid Interface Alteration},
author = {Liu, Zhanqi and Jiang, Xiao and Cheng, Xu and Pei, Yue and Wei, Xinkong and Han, Weihua and Tang, Wei and Wang, Zhong Lin},
journal = {ACS Nano},
volume = {19},
number = {37},
pages = {33361--33371},
year = {2025},
publisher = {ACS Publications},
doi = {10.1021/acsnano.5c09730}
}
2024Adv. Funct. Mater.
High Performance Ferroelectric-modulated Photoelectrodes by Using Grid Charge Collector
@article{liu2021zscheme,
title = {Z-Scheme Photocarrier Transfer Realized in Tungsten Oxide-Based Photocatalysts by Combining with Bismuth Vanadate Quantum Dots},
author = {Liu, Bo and Jiang, Xiao and Jiang, Xiaolin and others},
journal = {Inorganic Chemistry},
volume = {60},
number = {5},
pages = {3057--3064},
year = {2021},
publisher = {ACS Publications},
doi = {10.1021/acs.inorgchem.0c03342}
}
2020J. Phys. Chem. Lett.
Microscopic Nature of Gas Adsorption on WO₃ Surfaces: Electron Interaction and Localization
Xu Cheng, Xiao Jiang, Kun Tao, Qing Su, Yanrong Wang, Erqing Xie*. The Journal of Physical Chemistry Letters 11.21 (2020): 9070–9078.
@article{cheng2020microscopic,
title = {Microscopic Nature of Gas Adsorption on WO$_{3}$ Surfaces: Electron Interaction and Localization},
author = {Cheng, Xu and Jiang, Xiao and Tao, Kun and Su, Qing and Wang, Yanrong and Xie, Erqing},
journal = {The Journal of Physical Chemistry Letters},
volume = {11},
number = {21},
pages = {9070--9078},
year = {2020},
publisher = {ACS Publications},
doi = {10.1021/acs.jpclett.0c02020}
}
2020Chem. Eng. J.
Z-scheme Bi₂O₂.₃₃/Bi₂S₃ heterojunction nanostructures for photocatalytic overall water splitting
Yinyi Ma, Xiao Jiang, Rongke Sun, et al. Chemical Engineering Journal 382 (2020): 123020.