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材料的计算机模拟;新型超硬材料设计;高压相材料和相变机制

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2015: 49. Quan Li*, Dan Zhou, Weitao Zheng, Yanming Ma*, and Changfeng Chen*, “Influence of boron content on the strength of tungsten borides” Phys. Rev. Lett. 110, 136403 (2015). 48. Miao Zhang, Hanyu Liu, Quan Li*, Bo Gao, Yanchao Wang, Hongdong Li, Changfeng Chen*, and Yanming Ma*, Superhard BC3 in cubic diamond structure, Phys. Rev. Lett. 114, 015502 (2015). 47. Serge Desgreniers, John S. Tse, Takahiro Matsuoka, Yasuo Ohishi, Quan Li ,and Yanming Ma, “High pressure–low temperature phase diagram of barium: Simplicity versus complexity”, App. Phys. Lett. 107, 221908 (2015) 46. ShoutaoZhang, Haixin Bi, Shubo Wei, Jianyun Wang, Quan Li*, and Yanming Ma, Crystal Structures and Electronic Properties of Cesium Xenides at High Pressures, J. Phys. Chem. C , 119, 24996,(2015). 45. Chunye Zhu, Haixin Bi, Shoutao Zhang, Shubo Wei, and Quan Li*, “Exploring metallic phase of N2O under high pressure”, RSC adv. 5, 65745 (2015). 44. Ligang Bai, Quan Li , Serena A. Corr, Yue Meng, Changyong Park, Stanislav V. Sinogeikin, Changhyun Ko,Junqiao Wu, and Guoyin Shen, “Pressure-induced phase transitions and metallization in VO2”, Phys. Rev. B 91, 104110 (2015) 43. Yanchao Wang, Jian Lv, Li Zhu, Shaohua Lu, Ketao Yin, Quan Li , Hui Wang, Lijun Zhang and Yanming Ma, “Materials discovery via CALYPSO methodology”, J. Phys.: Condens. Matter 27, 203203 (2015) 42. Qian Li, Jianyun Wang, Miao Zhang, Quan Li*, and Yanming Ma, “Superhard-Driven Search of the Covalent Network in B3NO System”, RSC adv. 5, 35882 (2015). 2014: 41. Chunye Zhu, Qian Li, Yuanyuan Zhou, Miao Zhang, Shoutao Zhang, and Quan Li*, "Exploring High-Pressure Structures of N2CO", J. Phys. Chem. C, 118, 27252 (2014). 40. Dan Zhou, Jingshu Wang, Qiliang Cui*, and Quan Li*, “Crystal structure and physical properties of Mo2B: First-principle calculations”, J. Appl. Phys. 115 (11), 113504 (2014). 39. Shubo Wei, Chunye Zhu, Qian Li, Yuanyuan Zhou Quan Li*, and Yanming Ma, "High-Pressure Phase Transition of Cesium Chloride and Cesium Bromide", Phys. Chem. Chem. Phys. 16, 17924 (2014) 38. Qian Li, Xinxin Zhang, Hanyu Liu, Hui Wang*, Miao Zhang, Quan Li*, and Yanming Ma, "Structural and Mechanical Properties of Platinum Carbide", Inorg. Chem. 53, 5797 (2014). 37. Yu Xie, Quan Li, Artem R. Oganov, and Hui Wang, “Superconductivity of lithium-doped hydrogen under high pressure”, Acta Crystallogr C. 70 (2), 104 (2014). 36. Zhiguo Zhang, Mingchun Lu, Li Zhu, Lili Zhu, Yadan Li, Miao Zhang*, and Quan Li*, “Orthorhombic BN: A novel superhard sp3 boron nitride allotrope”, Physics Letters A 378, 7 741 (2014).

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