Lili Zhang

Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems

Qijing Zheng, Weibin Chu, Chuanyu Zhao et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2019 · 394 citations

Charge Excitations, Engineering, Localized Excited State +21

Direct Z-Scheme Water Splitting Photocatalyst Based on Two-Dimensional Van Der Waals Heterostructures

Ruiqi Zhang, Lili Zhang, Qijing Zheng et al. · The Journal of Physical Chemistry Letters · 2018 · 165 citations

p-d Orbital Hybridization Induced by Asymmetrical FeSn Dual Atom Sites Promotes the Oxygen Reduction Reaction

Xiaochen Wang, Ning Zhang, Shuohai Guo et al. · Journal of the American Chemical Society · 2024 · 153 citations

Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors

Lili Zhang, Qijing Zheng, Yu Xie et al. · Nano Letters · 2018 · 130 citations

High-density asymmetric iron dual-atom sites for efficient and stable electrochemical water oxidation

Lili Zhang, Ning Zhang, Huishan Shang et al. · Nature Communications · 2024 · 103 citations · Full text