Laicai Li

14PUBLICATIONS
3CO-AUTHORS
Reaction kinetics and dynamicsTheoretical quantum chemistryPhotonics, optoelectronics and optical communicationsPhotochemistryTheory and design of materials
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Publications (14)

|Jul 27, 2026
Chemical Modification-Regulated Excited-State Dynamics and Charge Separation in TPA-C60 Donor-Acceptor Systems: A Nonadiabatic Molecular Dynamics Study.

|Jul 08, 2025
Symmetry Breaking and Solvent Effects Regulated Photoinduced Dynamics in the PDI Dimer Linked via the Imide N-Position: A Nonadiabatic Dynamics Simulation.

Gao-Yi Li, Xin Wei, Hao Zhong

|Jun 19, 2025
Excited-State Dynamics in Monolayer Black Phosphorus: Exciton Relaxation Modulated by Defects.

Jing-Yi Qiao, Zi-Han Yang, Yan Zheng

|Jun 11, 2025
Non-adiabatic dynamics simulations reveal the reversal of photoinduced electron transfer in zinc phthalocyanine/endohedral metallofullerene donor-acceptor complexes via substitution and solvent effects.

Xin Wei, Gao-Yi Li, Si-Yu Xiong

|Sep 24, 2024
Mechanistic Exploration of Determinants for the Fullerene@FASnI3 Interface Stability: Surface Termination and Monovalent Cation Rotation.

Mengmeng Yang, Jing-Yi Qiao, Yan Zheng

|Aug 22, 2024
Theoretical Study on the Electrocatalytic CO2 Reduction Mechanism of Single-Atom Co Complexed Carbon-Based (Co-Nχ@C) Catalysts Supported on Carbon Nanotubes.

Qian-Hong Guo, Gui-Lin Zhang, Yang Wu

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Frequent Collaborators

7 joint publications

Xiang-Yang Liu

6 joint publications

Ganglong Cui

3 joint publications

Jia-Jia Yang