Publications by authors named "Weibin Chu"

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Reprogrammable Carrier Lifetimes in 2D Materials via Ultrafast Ferroelectric Switching.
Dongqi Yao, Zhi-Guo Tao, Changwei Zhang, Lei Peng, Xin-Gao Gong, Weibin Chu

J Am Chem Soc· December 2025

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Compression-Induced Lattice Tilting Quenches Ion Migration at Metal Halide Perovskite Grain Boundaries: A Machine Learning Molecular Dynamics Study.
Mikhail R Samatov, Dongyu Liu, Emir S Amirov, Maria A Bubnova, Andrey E Abrameshin, Weibin Chu

J Phys Chem Lett· December 2025

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Hydrogen Disproportionation Reduces the Bandgap and Prolongs the Carrier Lifetime in CsAgBiBr: Quantum Dynamics Analysis.
Emir S Amirov, Dongyu Liu, Mikhail R Samatov, Dmitrii A Abrameshin, Andrey E Abrameshin, Weibin Chu

J Phys Chem Lett· December 2025

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perspectives on surface photocatalysis: advances, challenges, and opportunities.
Chang Gao, Youyou Tu, Zhan Shi, Lili Zhang, Weibin Chu

Nanoscale Horiz· November 2025

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Charge transfer governed interlayer magnetic coupling and symmetry breaking in a van der Waals magnet.
Canyu Hong, Zeyuan Sun, Zhiyuan Sheng, Shuang Wu, Yi Chen, Weibin Chu

Nat Commun· October 2025

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Photocatalysis at the Molecule/Metal Oxide Interface Is Driven by Asymmetric Photocarrier Transfer: Ab Initio Quantum Dynamics Simulation.
Siyi Wu, Jianzheng Ma, Changwei Zhang, Oleg V Prezhdo, Jin Zhao, Weibin Chu

J Am Chem Soc· June 2025

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Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics.
Yifan Wu, Weibin Chu, Bipeng Wang, Oleg V Prezhdo

J Am Chem Soc· February 2025

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Advancing nonadiabatic molecular dynamics simulations in solids with E(3) equivariant deep neural hamiltonians.
Changwei Zhang, Yang Zhong, Zhi-Guo Tao, Xinming Qin, Honghui Shang, Weibin Chu

Nat Commun· February 2025

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Point defects at grain boundaries can create structural instabilities and persistent deep traps in metal halide perovskites.
Yifan Wu, Dongyu Liu, Weibin Chu, Bipeng Wang, Andrey S Vasenko

Nanoscale· January 2025

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Band Gap Narrowing in Lead-Halide Perovskites by Dynamic Defect Self-Doping for Enhanced Light Absorption and Energy Upconversion.
Yongliang Shi, Weibin Chu, Lili Zhang, Bipeng Wang, Wissam A Saidi

Chem Mater· January 2025

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Accelerating the calculation of electron-phonon coupling strength with machine learning.
Yang Zhong, Shixu Liu, Binhua Zhang, Zhiguo Tao, Yuting Sun, Weibin Chu

Nat Comput Sci· August 2024

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Tunable Ultrafast Charge Transfer across Homojunction Interface.
Zhi-Guo Tao, Shihan Deng, Oleg V Prezhdo, Hongjun Xiang, Weibin Chu

J Am Chem Soc· August 2024

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Organic Ligand Engineering for Tailoring Electron-Phonon Coupling in 2D Hybrid Perovskites.
Zhenwei Ou, Cheng Wang, Zhi-Guo Tao, Yahui Li, Zhe Li, Weibin Chu

Nano Lett· May 2024

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Imaging Ultrafast Dynamics of Pressure-Driven Phase Transitions in Black Phosphorus and Anomalous Coherent Phonon Softening.
Simin Wu, Weibin Chu, Yang Lu, Minbiao Ji

Nano Lett· January 2024

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Exploration of the origin of the excellent charge-carrier dynamics in Ruddlesden-Popper oxysulfide perovskite YTiOS.
Yisen Yao, Qiaoqiao Li, Weibin Chu, Yi-Min Ding, Luo Yan

Phys Chem Chem Phys· December 2023

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Lattice Distortion and Low-Frequency Anharmonic Phonons Suppress Charge Recombination in Lead Halide Perovskites upon Pseudohalide Doping: Time-Domain Ab Initio Analysis.
Teng-Fei Lu, Weibin Chu, Sraddha Agrawal, Zhihua Zhang, Oleg V Prezhdo

J Phys Chem Lett· November 2023

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Strong Electron-Phonon Coupling Mediates Carrier Transport in BiFeO.
Zhenwei Ou, Bin Peng, Weibin Chu, Zhe Li, Cheng Wang

Adv Sci (Weinh)· August 2023

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Fluctuations at Metal Halide Perovskite Grain Boundaries Create Transient Trap States: Machine Learning Assisted Ab Initio Analysis.
Yifan Wu, Dongyu Liu, Weibin Chu, Bipeng Wang, Andrey S Vasenko

ACS Appl Mater Interfaces· December 2022

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Control of Charge Carrier Relaxation at the Au/WSe Interface by Ti and TiO Adhesion Layers: Ab Initio Quantum Dynamics.
Teng-Fei Lu, Sraddha Agrawal, Marina Tokina, Weibin Chu, Daniel Hirt

ACS Appl Mater Interfaces· December 2022

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Observation of a transient intermediate in the ultrafast relaxation dynamics of the excess electron in strong-field-ionized liquid water.
Pei Jiang Low, Weibin Chu, Zhaogang Nie, Muhammad Shafiq Bin Mohd Yusof, Oleg V Prezhdo

Nat Commun· November 2022

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Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations.
Shanshan Wang, Menglin Huang, Yu-Ning Wu, Weibin Chu, Jin Zhao

Nat Comput Sci· August 2022

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Two Dimensional MOene: From Superconductors to Direct Semiconductors and Weyl Fermions.
Luo Yan, Jiaojiao Zhu, Bao-Tian Wang, Junjie He, Hai-Zhi Song, Weibin Chu

Nano Lett· July 2022

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Phonon signatures for polaron formation in an anharmonic semiconductor.
Feifan Wang, Weibin Chu, Lucas Huber, Teng Tu, Yanan Dai

Proc Natl Acad Sci U S A· July 2022

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High Photoreactivity on a Reconstructed Anatase TiO(001) Surface Predicted by Nonadiabatic Molecular Dynamics.
Youyou Tu, Weibin Chu, Yongliang Shi, Wenguang Zhu, Qijing Zheng

J Phys Chem Lett· June 2022

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Electron-Volt Fluctuation of Defect Levels in Metal Halide Perovskites on a 100 ps Time Scale.
Bipeng Wang, Weibin Chu, Yifan Wu, David Casanova, Wissam A Saidi

J Phys Chem Lett· June 2022

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