| Tetragonal allotrope of group 14 elements Z Zhao, F Tian, X Dong, Q Li, Q Wang, H Wang, X Zhong, B Xu, D Yu, ... Journal of the American Chemical Society 134 (30), 12362-12365, 2012 | 210 | 2012 |
| Direct band gap silicon allotropes Q Wang, B Xu, J Sun, H Liu, Z Zhao, D Yu, C Fan, J He Journal of the American Chemical Society 136 (28), 9826-9829, 2014 | 175 | 2014 |
| Compressed carbon nanotubes: A family of new multifunctional carbon allotropes M Hu, Z Zhao, F Tian, AR Oganov, Q Wang, M Xiong, C Fan, B Wen, J He, ... Scientific reports 3, 1331, 2013 | 106 | 2013 |
| A new metastable metallic silicon allotrope QQ WANG, K LUO, MD MA, DL YU, JL HE Chinese Science Bulletin 60 (27), 2616-2620, 2015 | 75* | 2015 |
| First-principles study of O-BN: A sp3-bonding boron nitride allotrope Q Huang, D Yu, Z Zhao, S Fu, M Xiong, Q Wang, Y Gao, K Luo, J He, ... Journal of Applied Physics 112 (5), 053518, 2012 | 58 | 2012 |
| Bulk modulus for polar covalent crystals B Xu, Q Wang, Y Tian Scientific reports 3, 2013 | 47 | 2013 |
| Is orthorhombic iron tetraboride superhard? Q Wang, J He, W Hu, Z Zhao, C Zhang, K Luo, Y Lü, C Hao, W Lü, Z Liu, ... Journal of Materiomics 1 (1), 45-51, 2015 | 31 | 2015 |
| Prediction of novel hard phases of Si 3 N 4: First-principles calculations L Cui, M Hu, Q Wang, B Xu, D Yu, Z Liu, J He Journal of Solid State Chemistry 228, 20-26, 2015 | 29 | 2015 |
| Prediction of a superconductive superhard material: Diamond-like BC7 L Xu, Z Zhao, Q Wang, LM Wang, B Xu, J He, Y Tian Journal of Applied Physics 110 (1), 013501, 2011 | 25 | 2011 |
| Prediction of novel SiCN compounds: first-principles calculations L Cui, Q Wang, B Xu, D Yu, Z Liu, Y Tian, J He The Journal of Physical Chemistry C 117 (42), 21943-21948, 2013 | 22 | 2013 |
| Novel three-dimensional boron nitride allotropes from compressed nanotube bundles M Xiong, C Fan, Z Zhao, Q Wang, J He, D Yu, Z Liu, B Xu, Y Tian Journal of Materials Chemistry C 2 (34), 7022-7028, 2014 | 20 | 2014 |
| Carbon coated face-centered cubic Ru–C nanoalloys Z Zhao, C Meng, P Li, W Zhu, Q Wang, Y Ma, G Shen, L Bai, H He, D He, ... Nanoscale 6 (17), 10370-10376, 2014 | 19 | 2014 |
| Novel high-pressure phase of RhB: First-principles calculations Q Wang, Z Zhao, L Xu, LM Wang, D Yu, Y Tian, J He The Journal of Physical Chemistry C 115 (40), 19910-19915, 2011 | 18 | 2011 |
| Tetracyanomethane under Pressure: Extended CN Polymers from Precursors with Built-in sp3 Centers DW Keefer, H Gou, Q Wang, A Purdy, A Epshteyn, SJ Juhl, GD Cody, ... The Journal of Physical Chemistry A 122 (11), 2858-2863, 2018 | 16 | 2018 |
| Covalent-bonded graphyne polymers with high hardness M Hu, J He, Q Wang, Q Huang, D Yu, Y Tian, B Xu Journal of Superhard Materials 36 (4), 257-269, 2014 | 15 | 2014 |
| A semiconductive superhard FeB 4 phase from first-principles calculations Q Wang, Q Zhang, M Hu, M Ma, B Xu, J He Physical Chemistry Chemical Physics 16 (40), 22008-22013, 2014 | 15 | 2014 |
| A metallic superhard boron carbide: first-principles calculations M Ma, B Yang, Z Li, M Hu, Q Wang, L Cui, D Yu, J He Physical Chemistry Chemical Physics 17 (15), 9748-9751, 2015 | 14 | 2015 |
| Metastable C-centered orthorhombic Si8 and Ge8 J Zhai, D Yu, K Luo, Q Wang, Z Zhao, J He, Y Tian Journal of Physics: Condensed Matter 24 (40), 405803, 2012 | 12 | 2012 |
