Yi Li

16PUBLICATIONS
18CO-AUTHORS
CrystallographyPolymerisation mechanismsChemical and thermal processes in energy and combustionOrganic semiconductorsWastewater treatment processes
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Publications (16)

|Feb 05, 2026
Tunable Second-Harmonic Generation on Si(001) Surfaces: A Theoretical Study on the Effects of Surface Reconstruction and Molecular Adsorption.

Yafeng Huang, Yichun Chen, Xianwen Zhang

|Nov 07, 2025
Mapping the Relationship of the Dynamic Active Site and the Activation Barrier for Cross-Coupling Reactions on Geminal-Cu Catalyst.

Wanxiang Yang, Yi Li, Yongfan Zhang

|Aug 26, 2025
Computational screening of single-atom catalysts supported on triazine-based graphite carbon nitride for 1,2-dichloroethane dechlorination.

Huanglan Xue, Yu Huang, Yi Li

|Apr 23, 2025
Artificial Stacking Dependences of Band Structures and Second-Harmonic Generations in Bilayer Hexagonal Boron Nitride.

Honglin Ma, Chen Yang, Bilian Ni

|Dec 31, 2024
Theoretical Insights into the Efficient Reduction of Nitrate to Ammonia on Crystalline Carbon Nitride.

Fangting Xie, Xu Cai, Yi Li

|Mar 22, 2024
Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructure.

Guanghua Lau, Yi Li, Yongfan Zhang

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Frequent Collaborators

12 joint publications

Yongfan Zhang

10 joint publications

Wei Lin

5 joint publications

Shuping Huang

1 joint publications

Jibin Song