Qingfang Li

7PUBLICATIONS
8CO-AUTHORS
Elemental semiconductorsFunctional materialsTheory and design of materialsMolecular and organic electronicsElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (7)

|Apr 17, 2026
Strain-tunable linear dichroism and second-harmonic generation response in TaOX2 (X = F, Cl, Br) monolayers: a first-principles study.

|Sep 10, 2025
Leveraging Language Model, Crystal Structure Prediction and First-Principles Calculation for Material Design.

Lei Zhang, Ben Ni, Kaiyang Xu

|Sep 16, 2024
Language Model-Assisted Machine Learning, Photoelectrochemical, and First-Principles Investigation of Compatible Solvents for a CH3NH3PbI3 Film in Water.

Yiru Huang, Shenyue Li, Wenguang Hu

|Feb 01, 2023
Tunable magnetic and electronic properties of armchair BeN4 nanoribbons.

Mingrui Zhu, Wanxin Zhou, Jiangtao Yang

|Nov 07, 2022
The reduction reaction of carbon dioxide on a precise number of Fe atoms anchored on two-dimensional biphenylene.

Na Xing, Ziyang Liu, Zhongwei Wang

|Oct 25, 2022
Tunable type-II lateral MoSi2N4/WSi2N4 heterostructures for photocatalytic applications.

Wanxin Zhou, Xingchen Zhou, Cuihong Yang

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Frequent Collaborators

2 joint publications

Lei Zhang

1 joint publications

Hongzhe Pan

1 joint publications

Jijun Zhao

1 joint publications

Yan Gao