An up-to-date list is available on Google Scholar , also on Web of Science.
Publication Summary
57 papers in total, including
Full List
A full publication list sorted by year can be found below, where
# is used to indicate first/co-first author and * for
corresponding/co-corresponding author.
2024
- Small Polaron Dynamics in a Two-dimensional Magnetic MaterialYao, Li#; Wang, Aolei; Zheng, Qijing*; Zhao, Jin*Physical Review B, 110, 054305 (2024)
Published: Aug, 2024 - Vertical Dipole Dominates Charge Carrier Lifetime in Monolayer Janus MoSSeFu, Cen-Feng#; Zheng, Qijing; Li, Xingxing*; Yang, Jinlong*Nano Letters, 24, 6425–6432 (2024)
Published: May, 2024 - Spontaneous Polarization Dynamics in V-doped Monolayer MoS2Xu, Jinhong#; Zheng, Qijing*; Zhao, Jin*Computational Materials Today, 1, 100004 (2024)
Published: May, 2024 - Real-Time Ab Initio Investigation on Hot Electron Relaxation Dynamics in SiliconWang, Zhenyu#; Zheng, Zhenfa*; Zheng, Qijing*; Zhao, Jin*Journal of Physical Chemistry Letters, 15, 3907–3913 (2024)
Published: Apr, 2024 - Photoexcitation-induced Spin Dynamics in 1T-VSe2 Investigated by Ab Initio Nonadiabatic Molecular DynamicsChen, Linjie#; Zheng, Zhenfa; Zheng, Qijing*; Li, Qunxiang*; Zhao, Jin*Science China Materials, 67, 1253–1259 (2024)
Published: Apr, 2024
2023
- Ab Initio Investigation on Exciton-phonon Interaction and Exciton Mobility in Black PhosphoreneTian, Xirui#; Zheng, Qijing; Jiang, Xiang*; Zhao, Jin*Physical Review B, 108, 245118 (2023)
Published: Dec, 2023 - Ultrafast Many-body Bright–dark Exciton Transition in Anatase TiO2Wang, Aolei#; Jiang, Xiang*; Zheng, Qijing; Petek, Hrvoje; Zhao, Jin*Proc. Natl. Acad. Sci., 120, e2307671120 (2023)
Published: Nov, 2023 - Resonant Charge Transport Assisted by the Molecular Vibration in Single-Molecule Junction from Time-Domain Ab Initio Nonadiabatic Molecular Dynamics SimulationsTian, Yunzhe#; Zheng, Qijing*; Zhao, Jin*Chinese Physics Letters, 40, 126301 (2023)
Published: Nov, 2023 - Ab Initio Nonadiabatic Molecular Dynamics Study on Spin-Orbit Coupling Induced Spin Dynamics in Ferromagnetic MetalsZhu, Wansong#; Zheng, Zhenfa; Zheng, Qijing*; Zhao, Jin*Chinese Physics B, 33, 016301 (2023)
Published: Sep, 2023 - Ab Initio Real-time Quantum Dynamics of Charge Carriers in Momentum SpaceZheng, Zhenfa#; Shi, Yongliang*; Zhou, Jin-Jian; Prezhdo, Oleg V.; Zheng, Qijing*; Zhao, Jin*Nature Computational Science, 3, 532–541 (2023)
Published: Jun, 2023 - Research on Quantum Proton Coupled Charge Transfer Process Based on Deep Neural NetworkTu, Youyou#; Zheng, Qijing*; Zhao, Jin*Frontiers of Data and Computing, 5, 37–49 (2023)
Published: Apr, 2023
2022
- Excited Electron and Spin Dynamics in Topological Insulator: A Perspective from Ab Initio Non-adiabatic Molecular DynamicsZhao, Chuanyu#; Zheng, Qijing; Zhao, Jin*Fundamental Research, 2, 506–510 (2022)
Published: Jul, 2022 - Ultrafast Charge Transfer Coupled to Quantum Proton Motion at Molecule/Metal Oxide InterfaceChu, Weibin#; Tan, Shijing; Zheng, Qijing; Fang, Wei; Feng, Yexin; Prezhdo, Oleg V.; Wang, Bing; Li, Xinzheng*; Zhao, Jin*Science Advances, 8, eabo2675 (2022)
Published: Jun, 2022 - High Photoreactivity on a Reconstructed Anatase TiO2(001) Surface Predicted by Ab Initio Nonadiabatic Molecular DynamicsTu, Youyou#; Chu, Weibin; Shi, Yongliang; Zhu, Wenguang; Zheng, Qijing*; Zhao, Jin*Journal of Physical Chemistry Letters, 13, 5766–5775 (2022)
Published: Jun, 2022 - Spin-orbit Coupling Induced Demagnetization in Ni: Ab Initio Nonadiabatic Molecular Dynamics PerspectiveZheng, Zhenfa#; Zheng, Qijing*; Zhao, Jin*Physical Review B, 105, 085142 (2022)
Published: Feb, 2022 - Effects of Oxygen Vacancies on the Photoexcited Carrier Lifetime in Rutile TiO2Zhang, Lili#; Chu, Weibin; Zheng, Qijing*; Zhao, Jin*Physical Chemistry Chemical Physics, 24, 4743–4750 (2022)
Published: Jan, 2022
2021
- Tuning the Lifetime of Photoexcited Small Polarons on Rutile TiO2 Surface via Molecular AdsorptionGao, Chang#; Zhang, Lili; Zheng, Qijing*; Zhao, Jin*Journal of Physical Chemistry C, 125, 27275–27282 (2021)
Published: Dec, 2021 - Ultrafast Ferroelectric Ordering on the Surface of a Topological Semimetal MoTe2Dai, Yanan#; Zheng, Qijing#; Ziffer, Mark E; Rhodes, Daniel; Hone, James; Zhao, Jin*; Zhu, Xiaoyang*Nano Letters, 21, 9903–9908 (2021)
Published: Nov, 2021 - Phonon–phonon Interaction Assisted Electron–hole Recombination in WSe2/hBN van der Waals HeterostructureFeng, Nan#; Tian, Yunzhe; Han, Jian; Zheng, Zhenfa; Wang, Aolei; Zheng, Qijing; Zhao, Jin; Bi, Ke*; Xu, Ben*Journal of Applied Physics, 130, 205708 (2021)
Published: Nov, 2021 - Time- and Momentum-resolved Image-potential States of 2H-MoS2 SurfaceLiu, Jianyi#; Jiang, Xiang; Li, Xintong; Ma, Xiaochuan; Sun, Xia; Zheng, Qijing; Cui, Xuefeng*; Tan, Shijing; Zhao, Jin*; Wang, Bing*Physical Chemistry Chemical Physics, 23, 26336–26342 (2021)
Published: Nov, 2021 - Bidirectional and Reversible Tuning of the Interlayer Spacing of Two-dimensional MaterialsDing, Yiran#; Zeng, Mengqi#; Zheng, Qijing; Zhang, Jiaqian; Xu, Ding; Chen, Weiyin; Wang, Chenyang; Chen, Shulin; Xie, Yingying; Ding, Yu; Zheng, Shuting; Zhao, Jin; Gao, Peng; Fu, Lei*Nature Communications, 12, 5886 (2021)
Published: Oct, 2021 - Investigation of ab initio Nonadiabatic Molecular Dynamics of Excited Carriers in Condensed Matter SystemsZheng, Zhenfa#; Jiang, Xiang; Chu, Weibin; Zhang, Lili; Guo, Hongli; Zhao, Chuanyu; Wang, Yanan; Wang, Aolei; Zheng, Qijing*; Zhao, Jin*Acta Physica Sinica, 70, 177101 (2021)
Published: Sep, 2021 - Patterning of Transition Metal Dichalcogenides Catalyzed by Surface Plasmons with Atomic PrecisionZhou, Xiaoli#; Hao, He; Zhang, Ying-Jie; Zheng, Qijing; Tan, Shijing*; Zhao, Jin; Chen, Hai-Bo; Chen, Jie-Jie; Gu, Ying*; Yu, Han-Qing; Liu, Xian-Wei*Chem, 7, 1626-1638 (2021)
Published: Jun, 2021 - Strong Modulation of Band Gap, Carrier Mobility and Lifetime in Two-Dimensional Black Phosphorene through Acoustic Phonon ExcitationGuo, Hongli#; Chu, Weibin; Prezhdo, Oleg V; Zheng, Qijing*; Zhao, JinJournal of Physical Chemistry Letters, 12, 3960–3967 (2021)
Published: Apr, 2021 - Real-Time GW-BSE Investigations on Spin-Valley Exciton Dynamics in Monolayer Transition Metal DichalcogenideJiang, Xiang#; Zheng, Qijing; Lan, Zhenggang; Saidi, Wissam A; Ren, Xinguo; Zhao, Jin*Science Advances, 7, eabf3759 (2021)
Published: Mar, 2021 - Dynamics of Photoexcited Small Polarons in Transition-Metal OxidesZhang, Lili#; Chu, Weibin; Zhao, Chuanyu; Zheng, Qijing*; Prezhdo, Oleg V; Zhao, JinJournal of Physical Chemistry Letters, 12, 2191–2198 (2021)
Published: Feb, 2021
2020
- Interfacial Hydrogen-Bonding Dynamics in Surface-Facilitated Dehydrogenation of Water on TiO2(110)Tan, Shijing#; Feng, Hao; Zheng, Qijing; Cui, Xuefeng; Zhao, Jin; Luo, Yi; Yang, Jinlong; Wang, Bing*; Hou, J. G.*Journal of the American Chemical Society, 142, 826–834 (2020)
Published: Dec, 2020 - Accurate Computation of Nonadiabatic Coupling With Projector Augmented-Wave PseudopotentialsChu, Weibin#; Zheng, Qijing; Akimov, Alexey V.*; Zhao, Jin*; Saidi, Wissam A.*; Prezhdo, Oleg V.*Journal of Physical Chemistry Letters, 11, 10073–10080 (2020)
Published: Nov, 2020 - Interlayer Polarization Explains Slow Charge Recombination in Two-Dimensional Halide Perovskites by Nonadiabatic Molecular Dynamics SimulationSu, Jianfeng#; Zheng, Qijing; Shi, Yongliang*; Zhao, Jin*Journal of Physical Chemistry Letters, 11, 9032–9037 (2020)
Published: Oct, 2020 - Halogen Modified Two-Dimensional Covalent Triazine Frameworks as Visible-light Driven Photocatalysts for Overall Water SplittingFu, Cen Feng#; Zhao, Chuanyu; Zheng, Qijing; Li, Xingxing*; Zhao, Jin; Yang, Jinlong*Science China Chemistry, 63, 1134–1141 (2020)
Published: Jun, 2020 - Tuning the Carrier Lifetime in Black Phosphorene Through Family Atom DopingGuo, Hongli#; Chu, Weibin; Zheng, Qijing*; Zhao, Jin*Journal of Physical Chemistry Letters, 11, 4662–4667 (2020)
Published: May, 2020 - Low-Frequency Lattice Phonons in Halide Perovskites Explain High Defect Tolerance Toward Electron-Hole RecombinationChu, Weibin#; Zheng, Qijing; Prezhdo, Oleg V.; Zhao, Jin*; Saidi, Wissam A.*Science Advances, 6, eaaw7453 (2020)
Published: Feb, 2020 - Tensile Strain-Controlled Photogenerated Carrier Dynamics at the van der Waals Heterostructure InterfaceTian, Yunzhe#; Zheng, Qijing*; Zhao, Jin*Journal of Physical Chemistry Letters, 11, 586–590 (2020)
Published: Jan, 2020 - CO2 Photoreduction on Metal Oxide Surface Is Driven by Transient Capture of Hot Electrons: Ab Initio Quantum Dynamics SimulationChu, Weibin#; Zheng, Qijing; Prezhdo, Oleg V.; Zhao, Jin*Journal of the American Chemical Society, 142, 3214–3221 (2020)
Published: Jan, 2020
2019
- Dynamics of Single-Molecule Dissociation by Selective Excitation of Molecular PhononsChen, Caiyun#; Kong, Longjuan#; Wang, Yu; Cheng, Peng; Feng, Baojie; Zheng, Qijing; Zhao, Jin*; Chen, Lan*; Wu, KehuiPhysical Review Letters, 123, 246804 (2019)
Published: Dec, 2019 - Diabatic Hamiltonian Construction in van der Waals Heterostructure ComplexesXie, Yu#; Sun, Huijuan; Zheng, Qijing; Zhao, Jin; Ren, Hao*; Lan, Zhenggang*Journal of Materials Chemistry A, 7, 27484–27492 (2019)
Published: Nov, 2019 - Ultrafast Electron Transfer Dynamics in Lateral Transition-Metal Dichalcogenide HeterostructuresZheng, Zhenfa#; Zheng, Qijing*; Zhao, Jin*Electronic Structure, 1, 034001 (2019)
Published: Sep, 2019 - Suppression of Electron-Hole Recombination by Intrinsic Defects in 2D Monoelemental MaterialZhang, Lili#; Chu, Weibin; Zheng, Qijing; Benderskii, Alexander V.; Prezhdo, Oleg V.*; Zhao, Jin*Journal of Physical Chemistry Letters, 10, 6151–6158 (2019)
Published: Sep, 2019 - Tailoring Exciton Dynamics of Monolayer Transition Metal Dichalcogenides by Interfacial Electron-Phonon CouplingNie, Zhonghui#; Shi, Yongliang; Qin, Shuchao; Wang, Yuhan; Jiang, Hongzhu; Zheng, Qijing; Cui, Yang; Meng, Yuze; Song, Fengqi; Wang, Xiaoyong; Turcu, Ion C.E.; Wang, Xinran; Xu, Yongbing; Shi, Yi; Zhao, Jin*; Zhang, Rong*; Wang, Fengqiu*Communications Physics, 2, 103 (2019)
Published: Sep, 2019 - Photogenerated Carrier Dynamics at the Anatase/Rutile TiO2 InterfaceWang, Yanan#; Shi, Yongliang; Zhao, Chuanyu; Zheng, Qijing*; Zhao, Jin*Physical Review B, 99, 165309 (2019)
Published: Apr, 2019 - Ab Initio Nonadiabatic Molecular Dynamics Investigations on the Excited Carriers in Condensed Matter SystemsZheng, Qijing#; Chu, Weibin; Zhao, Chuanyu; Zhang, Lili; Guo, Hongli; Wang, Yanan; Jiang, Xiang; Zhao, Jin*Wiley Interdisciplinary Reviews: Computational Molecular Science, 9, e1411 (2019)
Published: Mar, 2019 - Ultrafast Dynamics of Solvated Electrons at Anatase TiO2/H2O InterfaceSun, Huijuan#; Zheng, Qijing*; Lu, Wencai; Zhao, Jin*Journal of Physics Condensed Matter, 31, 114004 (2019)
Published: Jan, 2019 - Highly Efficient Photogenerated Electron Transfer at A Black Phosphorus/Indium Selenide Heterostructure Interface From Ultrafast DynamicsNiu, Xianghong#; Li, Yunhai; Zhang, Yehui; Zheng, Qijing; Zhao, Jin*; Wang, Jinlan*Journal of Materials Chemistry C, 7, 1864–1870 (2019)
Published: Jan, 2019
2018
- Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) SurfaceTan, Shijing#; Feng, Hao#; Ji, Yongfei#; Zheng, Qijing; Shi, Yongliang; Zhao, Jin; Zhao, Aidi; Yang, Jinlong; Luo, Yi; Wang, Bing*; Hou, J. G.*Journal of Physical Chemistry C, 122, 28805–28814 (2018)
Published: Nov, 2018 - Direct Z-Scheme Water Splitting Photocatalyst Based on Two-dimensional van der Waals HeterostructuresZhang, Ruiqi#; Zhang, Lili#; Zheng, Qijing; Gao, Pengfei; Zhao, Jin*; Yang, Jinlong*Journal of Physical Chemistry Letters, 9, 5419–5424 (2018)
Published: Sep, 2018 - Tuning Solvated Electrons by Polar-Nonpolar Oxide HeterostructureWang, Yanan#; Guo, Hongli; Zheng, Qijing*; Saidi, Wissam A.; Zhao, Jin*Journal of Physical Chemistry Letters, 9, 3049–3056 (2018)
Published: Jun, 2018 - Superatom Molecular Orbital as An Interfacial Charge Separation StateGuo, Hongli#; Zhao, Chuanyu; Zheng, Qijing*; Lan, Zhenggang; Prezhdo, Oleg V.; Saidi, Wissam A.; Zhao, Jin*Journal of Physical Chemistry Letters, 9, 3485–3490 (2018)
Published: Jun, 2018 - Phonon-Coupled Ultrafast Interlayer Charge Oscillation at van der Waals Heterostructure InterfacesZheng, Qijing#; Xie, Yu; Lan, Zhenggang; Prezhdo, Oleg V.; Saidi, Wissam A.; Zhao, Jin*Physical Review B, 97, 205417 (2018)
Published: May, 2018 - Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped SemiconductorsZhang, Lili#; Zheng, Qijing#; Xie, Yu; Lan, Zhenggang; Prezhdo, Oleg V.; Saidi, Wissam A.; Zhao, Jin*Nano Letters, 18, 1592–1599 (2018)
Published: Mar, 2018
2017
- Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure InterfaceZheng, Qijing#; Saidi, Wissam A.; Xie, Yu; Lan, Zhenggang; Prezhdo, Oleg V.; Petek, Hrvoje; Zhao, Jin*Nano Letters, 17, 6435–6442 (2017)
Published: Oct, 2017 - Ab Initio Nonadiabatic Molecular Dynamics Investigation on the Dynamics of Photogenerated Spin Hole Current in Cu-Doped MoS2Zhao, Chuanyu#; Zheng, Qijing*; Wu, Jianlan; Zhao, Jin*Physical Review B, 96, 134308 (2017)
Published: Oct, 2017
2016
- Ultrafast Dynamics of Photongenerated Holes at a CH3OH/TiO2 Rutile InterfaceChu, Weibin#; Saidi, Wissam A.; Zheng, Qijing*; Xie, Yu; Lan, Zhenggang; Prezhdo, Oleg V.; Petek, Hrvoje; Zhao, Jin*Journal of the American Chemical Society, 138, 13740–13749 (2016)
Published: Oct, 2016 - Dynamic Equilibrium of Reversible Reactions and Migration of Hydrogen Atoms Mediated by Diffusive Methanol on Rutile TiO2(110)-(1×1) SurfaceZheng, Qijing#; Tan, Shijing#; Feng, Hao; Cui, Xuefeng*; Zhao, Jin; Wang, Bing*Journal of Physical Chemistry C, 120, 7728–7735 (2016)
Published: Apr, 2016 - Temperature- and Coverage-Dependent Kinetics of Photocatalytic Reaction of Methanol on TiO2(110)-(1×1) SurfaceFeng, Hao#; Tan, Shijing; Tang, Haoqi; Zheng, Qijing; Shi, Yongliang; Cui, Xuefeng*; Shao, Xiang; Zhao, Aidi; Zhao, Jin; Wang, Bing*Journal of Physical Chemistry C, 120, 5503–5514 (2016)
Published: Feb, 2016
2014
- Nonnuclear Nearly Free Electron Conduction Channels Induced by Doping Charge in Nanotube-Molecular Sheet CompositesZhao, Jin#; Zheng, Qijing; Petek, Hrvoje*; Yang, Jinlong*Journal of Physical Chemistry A, 118, 7255–7260 (2014)
Published: Sep, 2014
2010
- Evidence for Competing Magnetic and Superconducting Phases in Superconducting Eu1-xSrxFe2-yCoyAs2 Single CrystalsHe, Yu#; Wu, Tao; Wu, Gang; Zheng, Qijing; Liu, Yuzhe; Chen, Hong; Ying, Jianju; Liu, Ronghua; Wang, Xiangfeng; Xie, Yali; Yan, Yajun; Dong, J. K.; Li, Shiyang; Chen, Xianhui*Journal of Physics Condensed Matter, 22, 235701 (2010)
Published: May, 2010 - Electron Spin Resonance in EuFe2-xCoxAs2 Single CrystalsYing, Jianjun#; Wu, Tao; Zheng, Qijing; He, Yu; Wu, Gang; Li, Qiuju; Yan, Yajun; Xie, Yali; Liu, Ronghua; Wang, Xiangfeng; Chen, Xianhui*Physical Review B, 81, 52503 (2010)
Published: Feb, 2010