Chu Weibin | Prof. Jin Zhao's research grouphttp://hefei-namd.org/author/chu-weibin/Chu WeibinWowchemy (https://wowchemy.com)en-usSun, 01 Jun 2025 00:00:00 +0000http://hefei-namd.org/author/chu-weibin/avatar_hue3c2a8f54f0d91379f6e6fee9b5b07eb_12706_270x270_fill_q75_lanczos_center.jpgChu Weibinhttp://hefei-namd.org/author/chu-weibin/Photocatalysis at the Molecule/Metal Oxide Interface Is Driven by Asymmetric Photocarrier Transfer: Ab Initio Quantum Dynamics Simulationhttp://hefei-namd.org/publication/wu-jot-acs-2025/Sun, 01 Jun 2025 00:00:00 +0000http://hefei-namd.org/publication/wu-jot-acs-2025/Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversionhttp://hefei-namd.org/publication/shi-co-m-2025/Wed, 01 Jan 2025 00:00:00 +0000http://hefei-namd.org/publication/shi-co-m-2025/Effective lifetime of Non-equilibrium Carriers in Semiconductors from Non-adiabatic Molecular Dynamics Simulationshttp://hefei-namd.org/publication/wang-ncs-2022/Mon, 01 Aug 2022 00:00:00 +0000http://hefei-namd.org/publication/wang-ncs-2022/Phonon Signatures for Polaron Formation in an Anharmonic Semiconductorhttp://hefei-namd.org/publication/wang-pot-n-ao-sot-u-so-a-2022/Fri, 01 Jul 2022 00:00:00 +0000http://hefei-namd.org/publication/wang-pot-n-ao-sot-u-so-a-2022/High Photoreactivity on a Reconstructed Anatase TiO$_2$(001) Surface Predicted by textitAb Initio Nonadiabatic Molecular Dynamicshttp://hefei-namd.org/publication/tu-jo-pcl-2022/Wed, 01 Jun 2022 00:00:00 +0000http://hefei-namd.org/publication/tu-jo-pcl-2022/Ultrafast Charge Transfer Coupled to Quantum Proton Motion at Molecule/Metal Oxide Interfacehttp://hefei-namd.org/publication/chu-sa-2022/Wed, 01 Jun 2022 00:00:00 +0000http://hefei-namd.org/publication/chu-sa-2022/Effects of Oxygen Vacancies on the Photoexcited Carrier Lifetime in Rutile TiO$_2$http://hefei-namd.org/publication/zhang-pccp-2022/Sat, 01 Jan 2022 00:00:00 +0000http://hefei-namd.org/publication/zhang-pccp-2022/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/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/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/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/Tuning the Carrier Lifetime in Black Phosphorene Through Family Atom Dopinghttp://hefei-namd.org/publication/guo-jo-pcl-2020/Fri, 01 May 2020 00:00:00 +0000http://hefei-namd.org/publication/guo-jo-pcl-2020/Low-Frequency Lattice Phonons in Halide Perovskites Explain High Defect Tolerance Toward Electron-Hole Recombinationhttp://hefei-namd.org/publication/chu-sa-2020/Sat, 01 Feb 2020 00:00:00 +0000http://hefei-namd.org/publication/chu-sa-2020/CO$_2$ Photoreduction on Metal Oxide Surface is Driven by Transient Capture of Hot Electrons: textitAb Initio Quantum Dynamics Simulationhttp://hefei-namd.org/publication/chu-jot-acs-2020/Wed, 01 Jan 2020 00:00:00 +0000http://hefei-namd.org/publication/chu-jot-acs-2020/Soft Lattice and Defect Covalency Rationalize Tolerance of $β$-CsPbI$_3$ Perovskite Solar Cells to Native Defectshttp://hefei-namd.org/publication/chu-acie-2020/Wed, 01 Jan 2020 00:00:00 +0000http://hefei-namd.org/publication/chu-acie-2020/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/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/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/