Zhu Q*, Frolov T, K. Choudhary (2019)
Computational Discovery of Inorganic Electrides from an Automated Screening.
Matter, 1, 1293-1303, [html] [preview] [pdf]

Li Y-L, Stavrou E, Zhu Q, Clarke S. M., Li Y-G and Huang H-M (2019)
Superconductivity in the van der Waals layered compound PS2. Phys. Rev. B, 99, 220503(R) [html] [pdf]

Fang L, Chen C, Yang Y, Wu Y, Hu T, Zhao G, Zhu Q and Ren W (2019)
First-principles studies of a two-dimensional electron gas at the interface of polar/polar LaAlO3/KNbO3 superlattices
Phys. Chem. Chem. Phys., 21, 8046-8053 [html] [pdf]

Zhu M-H, Weng X-J, Gao G-Y, Dong S, Lin L-F, Wang W-H, Zhu Q, Oganov A.R, Dong X, Tian Y-J, Zhou X-F and Wang H-T (2019)
Magnetic borophenes from an evolutionary search
Phys. Rev. B., 99, 205412 [html] [pdf]

Oganov A. R., Pickard C. J., Zhu, Q and Needs R. J. (2019)
Structure prediction drives materials discovery
Nat. Rev. Mater., 4, 331-348 [html] [pdf]

Zhu S-C, Wang L, Qu, J-Y, Wang, J-J, Frolov T, Chen X-Q and Zhu, Q*. (2019)
Computational Design of Flexible Electrides with Non-trivial Band Topology
Phys. Rev. Materials, 3, 024205 [html] [pdf]

Yang J-X, Zhu, X-L, Hu, C-H, Qiu, M-D, Zhu, Q*, Ward, M. D and Kahr B (2019)
Inverse Correlation between Lethality and Thermodynamic Stability of Contact Insecticide Polymorphs
Cryst. Growth Des.,, 19, 183-1844 [html] [pdf]

Wang J-J, Zhu, Q*, Wang Z-H, Hosono H. (2019)
Ternary Inorganic Electrides with mixed bonding
Phys. Rev. B, 99, 064104 [Preprint] [pdf] [html]

Qu J-Y, Zhu S-C, Zhang W-W, and Zhu, Q*. (2019)
Electrides with Dinitrogen Ligands
ACS Appl. Mater. Interfaces, 11, pp 5256-5263 [html] [pdf]

Zhu S-C, Liu J, Hu Q-Y, Mao W L, Meng Y, Zhang D-Z, Mao H-K, and Zhu, Q*. (2019)
Structure-Controlled Oxygen Concentration in Fe2O3 and FeO2
Inorg. Chem., 2019, 58 (9), pp 5476-5482 [html] [pdf] [cover]