Qi-Qi Liang

First-principles calculations to investigate structural, electronic, optical and thermodynamic properties of anti-perovskite compounds X3OI(X = Na, K, Rb)

Qi-Qi Liang, De‐Yuan Hu, Tian‐Yu Tang et al. · Journal of Materials Research and Technology · 2022 · 74 citations · Full text

First-principles Calculations, Optical Materials, Engineering +17

Theoretical exploration of mechanical, electronic structure and optical properties of aluminium based double halide perovskite

Tian‐Yu Tang, Xian‐Hao Zhao, De‐Yuan Hu et al. · RSC Advances · 2022 · 54 citations · Full text

Exploration of A2BH6(A = K, Rb; B = Ge, Sn) hydrides for hydrogen storage applications: A first principles study

Qi Dai, Tianyu Tang, Qi-Qi Liang et al. · International Journal of Hydrogen Energy · 2024 · 41 citations

Materials Science, Hydrogen Storage Applications, Chemical Engineering +14

Insights on structural, elastic, electronic, optical and thermodynamic properties and population analysis of double perovskite oxide Ba2MgXO6 (X = Se, Te)

Qi Dai, Qi-Qi Liang, Tianyu Tang et al. · Materials Science in Semiconductor Processing · 2023 · 32 citations

Materials Science, Engineering, Perovskite Solar Cell +8

Electronic, structure, mechanical, optical, and thermodynamic properties of double perovskite oxides Ba2ScAsO6 and Ba2ScSbO6: A first-principles study

Qi Dai, Qi-Qi Liang, Tianyu Tang et al. · Journal of Physics and Chemistry of Solids · 2024 · 22 citations

Materials Science, Engineering, Perovskite Solar Cell +11