ShiQuan Wu

The structural, stability, electronic, optical and thermodynamic properties of Ba2AsXO6（X = V, Nb, Ta）double perovskite oxides: A First-Principles study

Qi Dai, Qi-Qi Liang, Tianyu Tang et al. · Inorganic Chemistry Communications · 2024 · 20 citations

Materials Science, Engineering, Ta）double Perovskite Oxides +10

Physical properties of novel double perovskite oxides Ba2XSbO6(X = P, As) by first-principle calculations

Qi Dai, Qi-Qi Liang, Tianyu Tang et al. · Chemical Physics · 2024 · 20 citations

Materials Engineering, Materials Science, First-principle Calculations +11

Physical properties of novel double perovskite oxides Ba2AlXO6(X = Nb, Ta) by first-principle calculations

Qi Dai, Qi-Qi Liang, Tian‐Yu Tang et al. · Materials Science in Semiconductor Processing · 2024 · 19 citations

A DFT study of sulforaphane adsorption on the group III nitrides (B12N12, Al12N12 and Ga12N12) nanocages

ShiQuan Wu, Li Li, Qi-Qi Liang et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 18 citations

Engineering, Computational Chemistry, Chemistry +22

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

ShiQuan Wu, Limin Lu, Li Li et al. · Chemical Physics Letters · 2022 · 17 citations

Materials Science, Density Functional Study, Engineering +10