| 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 | 115 | 2007 |
| 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 | 95 | 2012 |
| 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 | 77 | 2015 |
| 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 | 71 | 2010 |
| 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 | 65 | 2011 |
| 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 | 49 | 2014 |
| 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 | 48 | 2013 |
| 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), 154711, 2013 | 42 | 2013 |
| 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 | 42 | 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 | 41 | 2008 |
| First-principles study of vibrational and dielectric properties of β− Si 3 N 4 Y Cai, L Zhang, Q Zeng, L Cheng, Y Xu Physical Review B 74 (17), 174301, 2006 | 41 | 2006 |
| 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 | 40 | 2017 |
| Evaluation of the Thermodynamic Data of 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 | 40 | 2006 |
| 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), 1-22, 2009 | 39 | 2009 |
| First-principles study of the structural, vibrational, phonon and thermodynamic properties of transition metal carbides TMC (TM=Ti, Zr and Hf) H Li, L Zhang, Q Zeng, H Ren, K Guan, Q Liu, L Cheng Solid State Communications 151 (1), 61-66, 2011 | 37 | 2011 |
| Exploring the real ground-state structures of molybdenum dinitride S Yu, B Huang, X Jia, Q Zeng, AR Oganov, L Zhang, G Frapper The Journal of Physical Chemistry C 120 (20), 11060-11067, 2016 | 33 | 2016 |
| Attractive Xe–Li interaction in Li-decorated clusters S Pan, S Jalife, J Romero, A Reyes, G Merino, PK Chattaraj Computational and Theoretical Chemistry 1021, 62-69, 2013 | 33* | 2013 |
| Preparation and oxidation resistance of 2D C/SiC composites modified by partial boron carbide self-sealing matrix Y Liu, L Zhang, L Cheng, XLW Yang, W Zhang, Y Xu, Q Zeng Materials Science and Engineering: A 498 (1-2), 430-436, 2008 | 33 | 2008 |
| 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 | 32 | 2011 |
| Diverse chemistry of stable hydronitrogens, and implications for planetary and materials sciences GR Qian, H Niu, CH Hu, AR Oganov, Q Zeng, HY Zhou Scientific reports 6 (1), 1-10, 2016 | 31 | 2016 |
Artem R. OganovSkolkovo Institute of Science and Technology, RussiaVerified email at skoltech.ru
