Limin Lu

发表

First-principles study on the electronic and optical properties of the orthorhombic CsPbBr3 and CsPbI3 with Cmcm space group

Q. Xie, Xian-Hao Zhao, Yanlin Tang, 2021, New Journal of Chemistry.

Study on the structural, electronic and optical properties of double-perovskite halides Cs2AgSbX6 (X=I, Br, Cl) based on first-principles

Xian-Hao Zhao, Tian-yu Tang, Dehui Hu, 2022, Materials Science in Semiconductor Processing.

Effect of hydrostatic pressure on the structural, elastic, and optoelectronic properties of vacancy-ordered double perovskite Cs2PdBr6

Fang Wang, Xian-Hao Zhao, Tian-yu Tang, 2022, Journal of Molecular Modeling.

Study on spectral properties and active sites of glucose and fructose based on density functional theory

Xian-Hao Zhao, Tian-yu Tang, Dehui Hu, 2022, Inorganic Chemistry Communications.

Density Functional Study of the adsorption behavior of 6-mercaptopurine on Primary, Si, Al and Ti doped C60 fullerenes

Q. Liang, H. Gao, Yanlin Tang, 2022, Chemical Physics Letters.

Theoretical prediction of the structural, electronic and optical properties of vacancy-ordered double perovskites Tl2TiX6 (X = Cl, Br, I)

Q. Xie, Xian-Hao Zhao, Tian-yu Tang, 2022 .

Density functional studies of probucol excited states and spectral properties

Yanlin Tang, Tian-yu Tang, Limin Lu, 2023, The European Physical Journal D.

Frontier Orbitals and Аctive Site of Тea Рolyphenol Мolecules Epigallocatechin Gallate and Gallocatechin Gallate

Yanlin Tang, Li Yuan, Tian-yu Tang, 2021, Russian Journal of Physical Chemistry A.

Exploring the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2TlAsX6 (X = I, Br, Cl) based on first-principles

Xian-Hao Zhao, Tian-yu Tang, Dehui Hu, 2022, Physics Letters A.

First-principles study on the structural, elastic, electronic and optical properties of lead-free double perovskites Cs2CuBiX6 (X I, Br, Cl)

Xian-Hao Zhao, Tian-yu Tang, Li-Ke Gao, 2021, Materials Today Communications.

First-principles calculations to investigate the structural, electronic and optical properties of lead-free double perovskites Rb2SeI6 and K2SeI6

Xian-Hao Zhao, Tian-yu Tang, Dehui Hu, 2022, Solar Energy.

Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles

Q. Xie, Xian-Hao Zhao, Bin Shi, 2021 .

First-principles study on the structural, electronic and optical properties of vacancy-ordered double perovskites Cs2PtI6 and Rb2PtI6

Q. Xie, Xian-Hao Zhao, Tian-yu Tang, 2021, Optical Materials.

Density functional theory investigation of the mechanical, electronic and optical properties of Pb-free vacancy-ordered double perovskites K2PdCl6 and K2PdBr6

Q. Xie, Xian-Hao Zhao, Tian-yu Tang, 2021, Physica Scripta.

Revealing structural, elastic, electronic and optical properties of potential perovskites K2CuBiX6 (X=Br, Cl) based on first-principles

Xian-Hao Zhao, Tian-yu Tang, Dehui Hu, 2022, Journal of Solid State Chemistry.