近期论文
查看导师新发文章
(温馨提示:请注意重名现象,建议点开原文通过作者单位确认)
Zhu Q*, Frolov T, K. Choudhary (2019) Computational Discovery of Inorganic Electrides from an Automated Screening.Matter, DOI: https://doi.org/10.1016/j.matt.2019.06.017 [html] [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]
Zhu S-C, Yan X-Z, Fredericks S, Li, Y-L and Zhu, Q*. (2018) First-principles investigation of Sc-III/IV under high pressure. Phys. Rev. B, 98, 214116 [html] [pdf]
Frolov T, Zhu Q, Oppelstrup T, Marian J, Rudd RE, (2018) Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects Acta Mater., 159, 123-134 [html] [pdf]
Yu. X-H, Oganov, A. R., Zhu Q. Qi, F and Qian G-R. (2018)The stability and unexpected chemistry of oxide clusters. Physical Chemistry Chemical Physics, DOI:10.1039/C8CP03519A [html]
Dong, H-F, Oganov, A. R., Brazhkin V., Wang, Q., Zhang. J., Esfahani M. D., Zhou. X-F, Wu. G. and Zhu, Q. (2018)Boron oxides under pressure: Prediction of the hardest oxides. Phys. Rev. B, 98, 174109 [html]
Hao, C-M, Li Y-G , Zhu, Q*, Chen X-Y, Wang Z-X, Li, Y-L, (2018)Pressure-induced structural phase transition in Li4Ge CrystEngComm, 20, 5949-5954 [html]
Tan M, Shtukenberg AG, Zhu SC, Xu WQ, Dooryhee E, Nichols SM, Ward WD, Kahr and Zhu, Q*, (2018)ROY revisited, again: the eighth solved structure Faraday Discussion, 211, 477-491 [html]
Chido MT, Koronaios P, Saravanan K, Adams AP, Geib SJ, Zhu Q, Sunkara, HB, Velankar SS, Enick RM, Keith JA, and Star A, (2018)Oligomer Hydrate Crystallization Improves Carbon Nanotube Memory Chem. Mater., 30, 3813-3818 [html] [pdf]
Wang P, Wang Y, Qu J, Zhu Q*, Yang W-G, Zhu J-L, Wang, L-P, Zhang W-W, He D-W, Zhao Y-S, (2018) Pressure-induced structural and electronic transitions, metallization, and enhanced visible-light responsiveness in layered rhenium disulphide Phys. Rev. B, 97, 235202 [html] [pdf]
Frolov T, Setyawan W, Kurtz R, Marian J, Oganov AR, Rudd RE, Zhu Q*, (2018) Grain boundary phases in bcc metals. Nano Scale, 10, 8253-8268 [html] [pdf]
He XL, Dong X, Wu QS, Zhao Z, Zhu Q, Oganov AR, Tian Y, Yu D, Zhou XF, Wang HT. (2018) Predicting the ground-state structure of sodium boride. Phys. Rev. B, 97, 100102(R) [html] [pdf]