| Infrared reflectance spectrum of BN calculated from first principles Y Cai, L Zhang, Q Zeng, L Cheng, Y Xu Solid state communications 141 (5), 262-266, 2007 | 152 | 2007 |
| Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study S Yu, Q Zeng, AR Oganov, G Frapper, L Zhang Physical Chemistry Chemical Physics 17 (17), 11763-11769, 2015 | 144 | 2015 |
| Structural, elastic and electronic properties of transition metal carbides TMC (TM= Ti, Zr, Hf and Ta) from first-principles calculations H Li, L Zhang, Q Zeng, K Guan, K Li, H Ren, S Liu, L Cheng Solid State Communications 151 (8), 602-606, 2011 | 108 | 2011 |
| Systematic search for low-enthalpy s p 3 carbon allotropes using evolutionary metadynamics Q Zhu, Q Zeng, AR Oganov Physical Review B 85 (20), 201407, 2012 | 102 | 2012 |
| Crystal structure and elastic properties of ZrB compared with ZrB2: A first-principles study H Li, L Zhang, Q Zeng, J Wang, L Cheng, H Ren, K Guan Computational Materials Science 49 (4), 814-819, 2010 | 97 | 2010 |
| Effect of sintering temperature in argon atmosphere on microstructure and properties of 3D printed alumina ceramic cores H Li, Y Liu, Y Liu, Q Zeng, K Hu, Z Lu, J Liang Journal of Advanced Ceramics 9, 220-231, 2020 | 92 | 2020 |
| Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen MgxNy Phases under High Pressure S Yu, B Huang, Q Zeng, AR Oganov, L Zhang, G Frapper The Journal of Physical Chemistry C 121 (21), 11037-11046, 2017 | 82 | 2017 |
| Evolution of the microstructure and mechanical properties of stereolithography formed alumina cores sintered in vacuum H Li, Y Liu, Y Liu, Q Zeng, J Wang, K Hu, Z Lu, J Liang Journal of the European Ceramic Society 40 (14), 4825-4836, 2020 | 81 | 2020 |
| Evolutionary search for new high-k dielectric materials: methodology and applications to hafnia-based oxides Q Zeng, AR Oganov, AO Lyakhov, C Xie, X Zhang, J Zhang, Q Zhu, B Wei, ... Acta Crystallographica Section C: Structural Chemistry 70 (2), 76-84, 2014 | 71 | 2014 |
| Evaluation of the thermodynamic data of CH3SiCl3 based on quantum chemistry calculations Q Zeng, K Su, L Zhang, Y Xu, L Cheng, X Yan Journal of physical and chemical reference data 35 (3), 1385-1390, 2006 | 70 | 2006 |
| Prediction of stable hafnium carbides: Stoichiometries, mechanical properties, and electronic structure Q Zeng, J Peng, AR Oganov, Q Zhu, C Xie, X Zhang, D Dong, L Zhang, ... Physical Review B 88, 214107, 2013 | 69 | 2013 |
| Silica strengthened alumina ceramic cores prepared by 3D printing H Li, Y Liu, Y Liu, Q Zeng, J Liang Journal of the European Ceramic Society 41 (4), 2938-2947, 2021 | 60 | 2021 |
| Effects of carbon vacancies on the structures, mechanical properties, and chemical bonding of zirconium carbides: a first-principles study C Xie, AR Oganov, D Li, TT Debela, N Liu, D Dong, Q Zeng Physical Chemistry Chemical Physics 18 (17), 12299-12306, 2016 | 59 | 2016 |
| Effect of debinding temperature under an argon atmosphere on the microstructure and properties of 3D-printed alumina ceramics H Li, Y Liu, Y Liu, Q Zeng, K Hu, Z Lu, J Liang Materials Characterization 168, 110548, 2020 | 54 | 2020 |
| First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties S Yu, Q Zeng, AR Oganov, G Frapper, B Huang, H Niu, L Zhang RSC advances 7 (8), 4697-4703, 2017 | 53 | 2017 |
| Adsorption of atomic and molecular oxygen on 3C-SiC(111) and surfaces: A first-principles study J Wang, L Zhang, Q Zeng, GL Vignoles, L Cheng, A Guette Physical Review B 79 (12), 125304, 2009 | 53 | 2009 |
| Transition metal atoms pathways on rutile TiO2 (110) surface: Distribution of Ti3+ states and evidence of enhanced peripheral charge accumulation Y Cai, Z Bai, S Chintalapati, Q Zeng, YP Feng The Journal of chemical physics 138 (15), 2013 | 51 | 2013 |
| Simulated three-dimensional transient temperature field during aircraft braking for C/SiC composite brake disc C Zhang, L Zhang, Q Zeng, S Fan, L Cheng Materials & Design 32 (5), 2590-2595, 2011 | 51 | 2011 |
| Thermodynamics of the gas-phase reactions in chemical vapor deposition of silicon carbide with methyltrichlorosilane precursor J Deng, K Su, X Wang, Q Zeng, L Cheng, Y Xu, L Zhang Theoretical Chemistry Accounts 122, 1-22, 2009 | 49 | 2009 |
| Theoretical investigation for the active‐to‐passive transition in the oxidation of silicon carbide J Wang, L Zhang, Q Zeng, GL Vignoles, A Guette Journal of the American Ceramic Society 91 (5), 1665-1673, 2008 | 49 | 2008 |
Artem R. OganovSkolkovo Institute of Science and Technology, RussiaVerified email at skoltech.ru
