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The Journal of Physical Chemistry Letters|May 22, 2018
Photoinduced Localized Hole Delays Nonradiative Electron-Hole Recombination in Cesium-Lead Halide Perovskites: A Time-Domain Ab Initio AnalysisJinlu He, Meng Guo, Run Long
Physical Chemistry Chemical Physics : PCCP|July 5, 2023
Enhancing the photoelectrochemical activity of monoclinic BiVO<sub>4</sub> by discretizing oxygen vacancies: insights from DFT calculationsShuyi Li, Xiaodan Yan, Jinlu He
The Journal of Physical Chemistry Letters|July 24, 2025
Deciphering the Role of Hydrogen Bonding and Water Dynamics in Hole Transfer on Anatase TiO<sub>2</sub>(101): An ab Initio Quantum Dynamics StudyXiaodan Yan, Xiao Han, Jinlu He
The Journal of Physical Chemistry Letters|April 24, 2025
Defect-Induced Spin Splitting Extends Charge Carrier Lifetimes in Anatase TiO<sub>2</sub>Xiaodan Yan, Xiao Han, Jinlu He
Physical Chemistry Chemical Physics : PCCP|March 7, 2025
Regulating the spin state of a single Fe atom in BiOBr to enhance photocatalytic nitrogen reduction: insights from theoretical studiesZhanjin Wang, Xiao Han, Jinlu He
Chemical Science|February 15, 2020
Unravelling the effects of oxidation state of interstitial iodine and oxygen passivation on charge trapping and recombination in CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> perovskite: a time-domain <i>ab initio</i> studyJinlu He, Wei-Hai Fang, Run Long
The Journal of Physical Chemistry Letters|August 11, 2018
Unravelling the Effects of A-Site Cations on Nonradiative Electron-Hole Recombination in Lead Bromide Perovskites: Time-Domain ab Initio AnalysisJinlu He, Wei-Hai Fang, Run Long
The Journal of Physical Chemistry Letters|June 10, 2020
Two-Dimensional Perovskite Capping Layer Simultaneously Improves the Charge Carriers' Lifetime and Stability of MAPbI<sub>3</sub> Perovskite: A Time-Domain Ab Initio StudyJinlu He, Wei-Hai Fang, Run Long
The Journal of Physical Chemistry Letters|February 8, 2021
Preventing Superoxide Generation on Molecule-Protected CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite: A Time-Domain Ab Initio StudyJinlu He, Yonghao Zhu, Weihai Fang, et al.
The Journal of Physical Chemistry Letters|March 24, 2026
Tuning Band-Edge Spin-Orbit Coupling to Prolong Carrier Lifetime in CsPbBr<sub>3</sub> PerovskitesYuqi Wu, Xiaodan Yan, Ting Meng, et al.
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