(1) Mi Zhong, Wei Zeng, Fu-Sheng Liu, Dai-He Fan, Bin Tang, Qi-Jun Liu. Screening criteria for high-performance p-type transparent conducting materials and their applications. Materials Today Physics, 2021.100583. (2) Mi Zhong,Wei Zeng,Fu-Sheng Liu,Bin Tang,Qi-Jun Liu. A member of p-type TCO family: Sn2TaxNb2-xO7 with a tunable band gap and controllable hole mobility. Materials Science &Engineering B, 2021, 271, 115255. (3) Mi Zhong,Wei Zeng,Fu-Sheng Liu,Bin Tang,Qi-Jun Liu. Explanation for the conductivity difference of half-Heusler transparent conductors via ionization energy. Physical Chemistry Chemical Physics, 2021, 23: 928. (4) Mi Zhong,Wei Zeng,Fu-Sheng Liu,Bin Tang,Qi-Jun Liu. Optical transparency, carrier mobility, and electrical conductivity of La-based copper layered oxychalcogenides: A density functional theory study. Solar Energy, 2020, 204:346-35. (5) Mi Zhong, Wei Zeng, Han Qin, Sheng-Hai Zhu, Xing-Han Li, Fu-Sheng Liu, Bin Tang, Qi-Jun Liu. The doping effects on antibonding states and carriers of two-dimensional PC6. Physical Chemistry Chemical Physics, 2022, 24: 10175-10183. (6) Mi Zhong,Wei Zeng,Hua Tang, Long-Xiang Wang, Fu-Sheng Liu,Bin Tang,Qi-Jun Liu. Band structures, effective masses and exciton binding energies of perovskite polymorphs of CH3NH3PbI3. Solar Energy, 2019, 190:617-621. (7) Mi Zhong, Han Qin, Qi-Jun Liu, Zhen Jiao, Feng Zhao, Hai-Lin Shang, Fu-Sheng Liu, Zheng-Tang Liu.Influences of different surfaces on anisotropic impact sensitivity of hexahydro-1,3,5-trinitro-1,3,5-triazine. Vacuum, 2017, 139:117-121. (8) Mi Zhong,Qi-Jun Liu,Cheng-Lu Jiang,Han Qin,Feng Zhao,Hai-Lin Shang,Fu-Sheng Liu,Bin Tang. A DFT-D study on influences of molecular vacancy, water and ethylenediamine substitutions on structural and electronic properties of nitromethane. Chinese Journal of Physics 2018,10, 011. (9) Mi Zhong,Qi-Jun Liu,Cheng-Lu Jiang,Fu-Sheng Liu, Bin Tang,Xiao-Juan Peng. Structural, elastic, electronic, phonon, dielectric and optical properties of Bi3TeBO9 from first-principles. Journal of Physics and Chemistry of Solids. 2018, 121,139. (10) Mi Zhong,Han Qin,Qi-Jun Liu,Cheng-Lu Jiang,Bin Tang. A systematic study of the surface structures and energetics of CH3NO2 surfaces by first-principles calculations, Journal of Molecular Modeling. 2019, 25:164. (11) Mi Zhong,Qi-Jun Liu,Cheng-Lu Jiang,Han Qin,Feng Zhao,Hai-Lin Shang,Fu-Sheng Liu,Bin Tang. Effects of different dopant elements on structures, electronic properties, and sensitivity characteristics of nitromethane.Journal of Molecular Modeling, 2018, 24, 295. (12) Mi Zhong,Wei Zeng,Fu-Sheng Liu,Bin Tang,Qi-Jun Liu. First-principles study of the atomic structures, electronic properties, and surface stability of BaTiO3 (001) and (011) surfaces. Surface and Interface Analysis. 2019,51:1021–1032. (13) Mi Zhong,Qi-Jun Liu,Han Qin,Zhen Jiao, Feng Zhao,Hai-Lin Shang,Fu-Sheng Liu,Zheng-Tang Liu. Influences of pressure on methyl group, elasticity, sound velocity and sensitivity of solid nitromethane. European Physical Journal B, 2017, 6, 90. (14) Mi Zhong,Qi-Jun Liu,Zhen Jiao,Fu-Sheng Liu,Zheng-Tang Liu. Vacancy Defects in Delafossite CuAlO2: First-Principles Calculations. Moscow University Physics Bulletin, 2017, 72:191–195. (15) Mi Zhong,Han Qin,Qi-Jun Liu,Fu-Sheng Liu, Bin Tang. Structures, Elasticity, and Sensitivity Characteristics of -CL-20 under High Pressure from First-Principles Calculations. Physica Status Solidi B-Basic Solid State Physics. 2019,180044. |