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
169 2015 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
165 2007 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
126 2011 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
125 2020 Systematic search for low-enthalpy Q Zhu, Q Zeng, AR Oganov
Physical Review B—Condensed Matter and Materials Physics 85 (20), 201407, 2012
105 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
101 2010 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
99 2020 Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen Mgx y S Yu, B Huang, Q Zeng, AR Oganov, L Zhang, G Frapper
The Journal of Physical Chemistry C 121 (21), 11037-11046, 2017
95 2017 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
85 2021 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
79 2006 Influence of debinding holding time on mechanical properties of 3D-printed alumina ceramic cores H Li, Y Liu, Y Liu, Q Zeng, K Hu, Z Lu, J Liang, J Li
Ceramics International 47 (4), 4884-4894, 2021
73 2021 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
73 2014 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
72 2020 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
72 2013 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
64 2017 First-principles study of vibrational and dielectric properties of Y Cai, L Zhang, Q Zeng, L Cheng, Y Xu
Physical Review B—Condensed Matter and Materials Physics 74 (17), 174301, 2006
64 2006 Influence of grain boundary and grain size on the mechanical properties of polycrystalline ceramics: grain‐scale simulations Z Gong, W Zhao, K Guan, P Rao, Q Zeng, J Liu, Z Feng
Journal of the American Ceramic Society 103 (10), 5900-5913, 2020
63 2020 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 Adsorption of atomic and molecular oxygen on 3C-SiC(111) and J Wang, L Zhang, Q Zeng, GL Vignoles, L Cheng, A Guette
Physical Review B—Condensed Matter and Materials Physics 79 (12), 125304, 2009
57 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
54 2013 
Qiang ZhuUniversity of North Carolina at CharlotteDirección de correo verificada de uncc.edu
