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Materials (Basel, Switzerland)|May 25, 2024
Theoretical Study of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on BiTeBr MonolayerTao Yang, Qiquan Luo
The Journal of Chemical Physics|August 20, 2022
Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principlesXiaoning Wang, Haidi Wang, Qiquan Luo, et al.
The Journal of Physical Chemistry Letters|June 22, 2026
Correlated Cs-Octahedra Motion Governs Structural Stability and Nonradiative Charge Recombination in CsPbBr3 PerovskitesZihang Liu, Jiao Wang, Qiquan Luo, et al.
Nanoscale|July 29, 2024
Platinum monolayer dispersed on MXenes for electrocatalyzed hydrogen evolution: a first-principles studyMingqi He, Yanan Zhou, Qiquan Luo, et al.
The Journal of Physical Chemistry Letters|May 4, 2026
Defect-Dependent Nonradiative Carrier Recombination in Cesium Lead Halide Perovskite Quantum Dots: A Time-Domain Ab Initio StudyZihang Liu, Linyu Bai, Qiquan Luo, et al.
The Journal of Physical Chemistry Letters|March 2, 2019
Interfacial Engineering Determines Band Alignment and Steers Charge Separation and Recombination at an Inorganic Perovskite Quantum Dot/WS2 Junction: A Time Domain Ab Initio StudySiyu Wang, Qiquan Luo, Wei-Hai Fang, et al.
The Journal of Physical Chemistry Letters|November 25, 2021
Improving the Activity of Electrocatalysts toward the Hydrogen Evolution Reaction, the Oxygen Evolution Reaction, and the Oxygen Reduction Reaction via Modification of Metal and Ligand of Conductive Two-Dimensional Metal-Organic FrameworksYanan Zhou, Li Sheng, Qiquan Luo, et al.
JACS Au|January 3, 2022
Understanding Single-Atom Catalysis in View of TheoryWenhua Zhang, Qiang Fu, Qiquan Luo, et al.
Nanoscale|June 14, 2023
Proposal of spin crossover as a reversible switch of catalytic activity for the oxygen evolution reaction in two dimensional metal-organic frameworksMin Ren, Xiangyu Zhu, Qiquan Luo, et al.
The Journal of Physical Chemistry Letters|December 17, 2024
Reversibly Modulating the Selectivity of Carbon Dioxide Reduction via Ligand-Driven Spin CrossoverYuan Tang, Xiangyu Zhu, Qiquan Luo, et al.
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