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ACS Nano|January 15, 2025
Long-Range Charge Transport Facilitated by Electron Delocalization in MoS2 and Carbon Nanotube HeterostructuresDaria D Blach, Dana B Sulas-Kern, Bipeng Wang, et al.Journal of the American Chemical Society|June 5, 2026
Band Gap Renormalization Drives Ultrafast Charge Separation and Slow Recombination in Covalently Functionalized Carbon Nanotubes: Nonadiabatic Molecular Dynamics SimulationUttam Chowdhury, Shrabanti Mondal, Subhajit Dey, et al.The Journal of Physical Chemistry Letters|October 30, 2019
Enhanced Activity of C2N-Supported Single Co Atom Catalyst by Single Atom PromoterWenhui Zhong, Guozhen Zhang, Yachao Zhang, et al.The Journal of Physical Chemistry Letters|May 15, 2025
Highly Oriented Nitrogen-Doped Flower-like ZnO Nanostructures for Boosting Photocatalytic and Photoelectrochemical Performance: A Combined Experimental and DFT StudyRiu Riu Wary, Abinash Das, Emir S Amirov, et al.The Journal of Physical Chemistry Letters|January 28, 2025
Ultrafast Charge Carrier Dynamics in Vanadium Dioxide, VO2: Nonequilibrium Contributions to the Photoinduced Phase TransitionsJohn A Tomko, Kiumars Aryana, Yifan Wu, et al.The Journal of Physical Chemistry Letters|December 9, 2024
Ion Migration at Metal Halide Perovskite Grain Boundaries Elucidated with a Machine Learning Force FieldMikhail R Samatov, Dongyu Liu, Long Zhao, et al.Journal of Chemical Theory and Computation|November 19, 2015
Nonadiabatic Ensemble Simulations of cis-Stilbene and cis-Azobenzene PhotoisomerizationAmanda J Neukirch, Logan C Shamberger, Enrique Abad, et al.The Journal of Physical Chemistry Letters|July 18, 2024
Origin of the Improved Photoelectrochemical and Photocatalytic Activity in a ZnO-TiO2 Nanohybrid Revealed by Experimental and Density Functional Theory StudiesAbinash Das, Dongyu Liu, Yifan Wu, et al.Journal of Chemical Theory and Computation|April 5, 2022
Multilayer Subsystem Surface Hopping Method for Large-Scale Nonadiabatic Dynamics Simulation with Hundreds of Thousands of StatesJing Qiu, Yao Lu, Linjun WangThe Journal of Physical Chemistry Letters|October 13, 2022
Growth Pattern of Large Morse Clusters with Medium-Range PotentialsLiping Chen, Tao Liang, Linjun WangPageof 56