Zheng Qijing | Prof. Jin Zhao's research grouphttp://hefei-namd.org/author/zheng-qijing/Zheng QijingWowchemy (https://wowchemy.com)en-usSat, 01 Nov 2025 00:00:00 +0000http://hefei-namd.org/author/zheng-qijing/avatar_hu00181b4491ffd4edb6ddee980446016e_130356_270x270_fill_q75_lanczos_center.jpgZheng Qijinghttp://hefei-namd.org/author/zheng-qijing/ABACUS: An electronic structure analysis package for the AI erahttp://hefei-namd.org/publication/zhou-t-jo-cp-2025/Sat, 01 Nov 2025 00:00:00 +0000http://hefei-namd.org/publication/zhou-t-jo-cp-2025/Picosecond Valley Manipulation in Two-Dimensional In2Se3 via Ferroelectric Switchinghttp://hefei-namd.org/publication/xia-nl-2025/Thu, 01 May 2025 00:00:00 +0000http://hefei-namd.org/publication/xia-nl-2025/Spin Valley Dynamics Entangled with Optical Fields, Phonons, and Spin-Orbit Coupling in Monolayer MoSe2http://hefei-namd.org/publication/chen-aom-2025/Sat, 01 Feb 2025 00:00:00 +0000http://hefei-namd.org/publication/chen-aom-2025/First principles 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Materialshttp://hefei-namd.org/publication/ding-nc-2021/Wed, 01 Dec 2021 00:00:00 +0000http://hefei-namd.org/publication/ding-nc-2021/Tuning the Lifetime of Photoexcited Small Polarons on Rutile TiO$_2$ Surface via Molecular Adsorptionhttp://hefei-namd.org/publication/gao-jo-pcc-2021/Wed, 01 Dec 2021 00:00:00 +0000http://hefei-namd.org/publication/gao-jo-pcc-2021/Phonon–phonon Interaction Assisted Electron–hole Recombination in WSe$_2$/hBN van der Waals Heterostructurehttp://hefei-namd.org/publication/feng-jo-ap-2021/Mon, 01 Nov 2021 00:00:00 +0000http://hefei-namd.org/publication/feng-jo-ap-2021/Time- and Momentum-resolved Image-potential States of 2H-MoS$_2$ Surfacehttp://hefei-namd.org/publication/liu-pccp-2021/Mon, 01 Nov 2021 00:00:00 +0000http://hefei-namd.org/publication/liu-pccp-2021/Ultrafast Ferroelectric Ordering on the Surface of a Topological Semimetal MoTe$_2$http://hefei-namd.org/publication/dai-nl-2021/Mon, 01 Nov 2021 00:00:00 +0000http://hefei-namd.org/publication/dai-nl-2021/Investigation of textitab initio Nonadiabatic Molecular Dynamics of Excited Carriers in Condensed Matter Systemshttp://hefei-namd.org/publication/zheng-aps-2021/Wed, 01 Sep 2021 00:00:00 +0000http://hefei-namd.org/publication/zheng-aps-2021/Patterning of Transition Metal Dichalcogenides Catalyzed by Surface Plasmons with Atomic Precisionhttp://hefei-namd.org/publication/zhou-c-2021/Thu, 01 Apr 2021 00:00:00 +0000http://hefei-namd.org/publication/zhou-c-2021/Strong Modulation of Band Gap, Carrier Mobility and Lifetime in Two-Dimensional Black Phosphorene through Acoustic Phonon Excitationhttp://hefei-namd.org/publication/guo-jo-pcl-2021/Thu, 01 Apr 2021 00:00:00 +0000http://hefei-namd.org/publication/guo-jo-pcl-2021/Real-Time GW-BSE Investigations on Spin-Valley Exciton Dynamics in Monolayer Transition Metal Dichalcogenidehttp://hefei-namd.org/publication/jiang-sa-2021/Mon, 01 Mar 2021 00:00:00 +0000http://hefei-namd.org/publication/jiang-sa-2021/Dynamics of Photoexcited Small Polarons in Transition-Metal Oxideshttp://hefei-namd.org/publication/zhang-jo-pcl-2021/Mon, 01 Feb 2021 00:00:00 +0000http://hefei-namd.org/publication/zhang-jo-pcl-2021/Interfacial Hydrogen-Bonding Dynamics in Surface-facilitated Dehydrogenation of Water on TiO$_2$(110)http://hefei-namd.org/publication/tan-jot-acs-2020/Tue, 01 Dec 2020 00:00:00 +0000http://hefei-namd.org/publication/tan-jot-acs-2020/Accurate Computation of Nonadiabatic Coupling With Projector Augmented-Wave Pseudopotentialshttp://hefei-namd.org/publication/chu-jo-pcl-2020/Sun, 01 Nov 2020 00:00:00 +0000http://hefei-namd.org/publication/chu-jo-pcl-2020/Interlayer Polarization Explains Slow Charge Recombination in Two-Dimensional Halide Perovskites by Nonadiabatic Molecular Dynamics Simulationhttp://hefei-namd.org/publication/su-jo-pcl-2020/Thu, 01 Oct 2020 00:00:00 +0000http://hefei-namd.org/publication/su-jo-pcl-2020/Halogen Modified 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Dynamics at the van der Waals Heterostructure Interfacehttp://hefei-namd.org/publication/tian-jo-pcl-2020/Wed, 01 Jan 2020 00:00:00 +0000http://hefei-namd.org/publication/tian-jo-pcl-2020/Dynamics of Single-Molecule Dissociation by Selective Excitation of Molecular Phononshttp://hefei-namd.org/publication/chen-prl-2019/Sun, 01 Dec 2019 00:00:00 +0000http://hefei-namd.org/publication/chen-prl-2019/Diabatic Hamiltonian Construction in van der Waals Heterostructure Complexeshttp://hefei-namd.org/publication/xie-jo-mca-2019/Fri, 01 Nov 2019 00:00:00 +0000http://hefei-namd.org/publication/xie-jo-mca-2019/Suppression of Electron-Hole Recombination by Intrinsic Defects in 2D Monoelemental Materialhttp://hefei-namd.org/publication/zhang-jo-pcl-2019-b/Sun, 01 Sep 2019 00:00:00 +0000http://hefei-namd.org/publication/zhang-jo-pcl-2019-b/Tailoring Exciton Dynamics of Monolayer Transition Metal Dichalcogenides by Interfacial Electron-Phonon Couplinghttp://hefei-namd.org/publication/nie-cp-2019/Sun, 01 Sep 2019 00:00:00 +0000http://hefei-namd.org/publication/nie-cp-2019/Ultrafast Electron Transfer Dynamics in Lateral Transition-Metal Dichalcogenide Heterostructureshttp://hefei-namd.org/publication/zheng-es-2019/Sun, 01 Sep 2019 00:00:00 +0000http://hefei-namd.org/publication/zheng-es-2019/Photogenerated Carrier Dynamics at the Anatase/Rutile TiO$_2$ Interfacehttp://hefei-namd.org/publication/wang-prb-2019/Mon, 01 Apr 2019 00:00:00 +0000http://hefei-namd.org/publication/wang-prb-2019/Ab Initio Nonadiabatic Molecular Dynamics Investigations on the Excited Carriers in Condensed Matter Systemshttp://hefei-namd.org/publication/zheng-wircms-2019/Fri, 01 Mar 2019 00:00:00 +0000http://hefei-namd.org/publication/zheng-wircms-2019/Highly Efficient Photogenerated Electron Transfer at A Black Phosphorus/Indium Selenide Heterostructure Interface From Ultrafast Dynamicshttp://hefei-namd.org/publication/niu-jo-mcc-2019/Tue, 01 Jan 2019 00:00:00 +0000http://hefei-namd.org/publication/niu-jo-mcc-2019/Ultrafast Dynamics of Solvated Electrons at Anatase TiO$_2$/H$_2$O Interfacehttp://hefei-namd.org/publication/sun-jo-pcm-2019/Tue, 01 Jan 2019 00:00:00 +0000http://hefei-namd.org/publication/sun-jo-pcm-2019/Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO$_2$(110) Surfacehttp://hefei-namd.org/publication/tan-jo-pcc-2018/Thu, 01 Nov 2018 00:00:00 +0000http://hefei-namd.org/publication/tan-jo-pcc-2018/Direct Z-Scheme Water Splitting Photocatalyst Based on Two-dimensional van der Waals Heterostructureshttp://hefei-namd.org/publication/zhang-jo-pcl-2018/Sat, 01 Sep 2018 00:00:00 +0000http://hefei-namd.org/publication/zhang-jo-pcl-2018/Superatom Molecular Orbital as An Interfacial Charge Separation Statehttp://hefei-namd.org/publication/guo-jo-pcl-2018/Fri, 01 Jun 2018 00:00:00 +0000http://hefei-namd.org/publication/guo-jo-pcl-2018/Tuning Solvated Electrons by Polar-Nonpolar Oxide Heterostructurehttp://hefei-namd.org/publication/wang-jo-pcl-2018/Fri, 01 Jun 2018 00:00:00 +0000http://hefei-namd.org/publication/wang-jo-pcl-2018/Phonon-Coupled Ultrafast Interlayer Charge Oscillation at van der Waals Heterostructure Interfaceshttp://hefei-namd.org/publication/zheng-prb-2018/Tue, 01 May 2018 00:00:00 +0000http://hefei-namd.org/publication/zheng-prb-2018/Delocalized Impurity Phonon Induced Electron-Hole Recombination in Doped Semiconductorshttp://hefei-namd.org/publication/zhang-nl-2018/Thu, 01 Mar 2018 00:00:00 +0000http://hefei-namd.org/publication/zhang-nl-2018/Ab Initio Nonadiabatic Molecular Dynamics Investigation on the Dynamics of Photogenerated Spin Hole Current in Cu-Doped MoS$_2$http://hefei-namd.org/publication/zhao-prb-2017/Sun, 01 Oct 2017 00:00:00 +0000http://hefei-namd.org/publication/zhao-prb-2017/Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interfacehttp://hefei-namd.org/publication/zheng-nl-2017/Sun, 01 Oct 2017 00:00:00 +0000http://hefei-namd.org/publication/zheng-nl-2017/Ultrafast Dynamics of Photongenerated Holes at a CH$_3$OH/TiO$_2$ Rutile Interfacehttp://hefei-namd.org/publication/chu-jot-acs-2016/Sat, 01 Oct 2016 00:00:00 +0000http://hefei-namd.org/publication/chu-jot-acs-2016/Dynamic Equilibrium of Reversible Reactions and Migration of Hydrogen Atoms Mediated by Diffusive Methanol on Rutile TiO$_2$(110)-(1×1) Surfacehttp://hefei-namd.org/publication/zheng-jo-pcc-2016/Fri, 01 Apr 2016 00:00:00 +0000http://hefei-namd.org/publication/zheng-jo-pcc-2016/Temperature- and Coverage-Dependent Kinetics of Photocatalytic Reaction of Methanol on TiO$_2$(110)-(1×1) Surfacehttp://hefei-namd.org/publication/feng-jo-pcc-2016-b/Mon, 01 Feb 2016 00:00:00 +0000http://hefei-namd.org/publication/feng-jo-pcc-2016-b/Nonnuclear Nearly Free Electron Conduction Channels Induced by Doping Charge in Nanotube-Molecular Sheet Compositeshttp://hefei-namd.org/publication/zhao-jo-pca-2014/Mon, 01 Sep 2014 00:00:00 +0000http://hefei-namd.org/publication/zhao-jo-pca-2014/