陈长城,,涂睿欣.Study on the Material Properties of AB2C4 (A=Mg; B=In, Ga; C=Te, Se) Near Infrared Materials Based on Machine Learning and Density Functional Theory:Physica B,2026,730 (2026) 418489

陈长城,,熊春莲.Infrared window properties of AB₂C₄ (A=Zn; B=In,Ga; C=Te,Se) materials via Machine learning and density functional theory:Journal of Alloys and Compounds,2025,1044 (2025) 184560

陈长城,,杜钰玺.Machine learning and first-principles study of non-lead-halogen Cs2NaB’Cl6 (B’=In, Cr, Y, Tb) double halide perovskites with optoelectronic properties:Materials Science and Engineering B,2025,316 (2025) 118135

高树理,陈长城,.Twin-graphene: A Promising Anode Material for Li‑ion Batteries with Ultra-high Specific Capacity:Journal of Physical Chemistry C,2023,2023, 127, 14065−14074

陈长城,刘刚.Machine Learning-Assisted Density Functional Theory Screening of Double Perovskite Materials for Red-Light Emission:Journal of Physical Chemistry C,2026,jp-2026-02768s

陈长城,,杜钰玺.Optimization of Inorganic Halide Perovskite CsPbI₂Br Solar Cells: Stability, Optical Properties, and SCAPS-1D Simulation:Physica B,2025,719 (2025) 417959

陈长城,,拓娅莉.Optical, electronic, mechanical, and thermoelectric applications of Cs2NaBiCl6 halide perovskites based on doping and vacancy manipulation:Physica B,2025,700 (2025) 416942

陈长城,,张子怡.Impact of alkaline-earth doping on the mechanical, electronic, optical and photocatalytic properties of CsPb0.875AE0.125Br3(AE = Be, Mg, Ca, Sr and Ba): insights from DFT perspective:Materials Science and Engineering B,2023,299 (2024) 116923

陈长城,,韩昭.Targeted agrivoltaic applications of lead-free double perovskites and plant light-responsive gene studies:Solar Energy,2026,315 (2026) 114792

陈长城,,杜钰玺.Strain-Tuning the Optoelectronic and Mechanical Properties of Cs₂AgSbX₆ (X = Cl, Br, I): A Combined Computational Study of Electronic Structure and Property Underpinnings:Computational and Theoretical Chemistry,2026,1257 (2026) 115658