Highly-efficient all-inorganic lead-free 1D CsCu2I3 single crystal for white-light emitting diodes and UV photodetection X Mo, T Li, F Huang, Z Li, Y Zhou, T Lin, Y Ouyang, X Tao, C Pan Nano Energy 81, 105570, 2021 | 123 | 2021 |
Machine learning reveals the importance of the formation enthalpy and atom-size difference in forming phases of high entropy alloys L Zhang, H Chen, X Tao, H Cai, J Liu, Y Ouyang, Q Peng, Y Du Materials & Design 193, 108835, 2020 | 96 | 2020 |
Phase stability and physical properties of compounds from first-principles calculations X Tao, P Jund, C Colinet, JC Tedenac Physical Review B—Condensed Matter and Materials Physics 80 (10), 104103, 2009 | 95 | 2009 |
Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining D Gu, X Tao, H Chen, W Zhu, Y Ouyang, Q Peng Nanoscale 11 (5), 2335-2342, 2019 | 86 | 2019 |
Phase stability of magnesium-rare earth binary systems from first-principles calculations X Tao, Y Ouyang, H Liu, Y Feng, Y Du, Y He, Z Jin Journal of Alloys and Compounds 509 (24), 6899-6907, 2011 | 83 | 2011 |
Physical properties of thermoelectric zinc antimonide using first-principles calculations P Jund, R Viennois, X Tao, K Niedziolka, JC Tédenac Physical Review B—Condensed Matter and Materials Physics 85 (22), 224105, 2012 | 70 | 2012 |
Elastic constants of B2-MgRE (RE= Sc, Y, La–Lu) calculated with first-principles X Tao, Y Ouyang, H Liu, Y Feng, Y Du, Z Jin Solid state communications 148 (7-8), 314-318, 2008 | 62 | 2008 |
Distinct green electroluminescence from lead-free CsCuBr 2 halide micro-crosses T Li, X Mo, C Peng, Q Lu, C Qi, X Tao, Y Ouyang, Y Zhou Chemical Communications 55 (31), 4554-4557, 2019 | 61 | 2019 |
Study of low-modulus biomedical β Ti–Nb–Zr alloys based on single-crystal elastic constants modeling X Wang, L Zhang, Z Guo, Y Jiang, X Tao, L Liu Journal of the mechanical behavior of biomedical materials 62, 310-318, 2016 | 57 | 2016 |
Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE= Sc, Y, La, Ce–Lu) X Tao, Y Ouyang, H Liu, F Zeng, Y Feng, Y Du, Z Jin Computational Materials Science 44 (2), 392-399, 2008 | 57 | 2008 |
Molecular dynamics simulation of diffusion bonding of Al–Cu interface C Li, D Li, X Tao, H Chen, Y Ouyang Modelling and Simulation in Materials Science and Engineering 22 (6), 065013, 2014 | 54 | 2014 |
Calculation of the thermodynamic properties of b2 AlRE (RE= sc, y, la, ce–lu) X Tao, Y Ouyang, H Liu, F Zeng, Y Feng, Z Jin Physica B: Condensed Matter 399 (1), 27-32, 2007 | 49 | 2007 |
Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE X Tao, Y Ouyang, H Liu, F Zeng, Y Feng, Z Jin Computational materials science 40 (2), 226-233, 2007 | 47 | 2007 |
First-principles study of the structural, electronic and elastic properties of W5Si3 X Tao, P Jund, C Colinet, JC Tédenac Intermetallics 18 (4), 688-693, 2010 | 44 | 2010 |
Daylight-White-Emitting and Abnormal Thermal Antiquenching Phosphors Based on a Layered Host SrIn2(P2O7)2 Y Liu, G Zhang, J Huang, X Tao, G Li, G Cai Inorganic Chemistry 60 (4), 2279-2293, 2021 | 41 | 2021 |
Thermodynamic and physical properties of FeAl and Fe3Al: an atomistic study by EAM simulation Y Ouyang, X Tong, C Li, H Chen, X Tao, T Hickel, Y Du Physica B: Condensed Matter 407 (23), 4530-4536, 2012 | 38 | 2012 |
Thermodynamic description of the Al–Cu–Y ternary system L Zhang, PJ Masset, X Tao, G Huang, H Luo, L Liu, Z Jin Calphad 35 (4), 574-579, 2011 | 37 | 2011 |
Effect of Cr content on microstructure characteristics and mechanical properties of ZrNbTaHf0. 2Crx refractory high entropy alloy L Fang, J Wang, X Li, X Tao, Y Ouyang, Y Du Journal of Alloys and Compounds 924, 166593, 2022 | 36 | 2022 |
Physical properties of thallium–tellurium based thermoelectric compounds using first-principles simulations X Tao, P Jund, R Viennois, JC Tédenac The Journal of Physical Chemistry A 115 (31), 8761-8766, 2011 | 36 | 2011 |
First-principles calculations of the thermodynamic and elastic properties of the L12-based Al3RE (RE= Sc, Y, La–Lu) X Tao, Y Ouyang, H Liu, Y Feng, Y Du, Z Jin International journal of materials research 99 (6), 582-588, 2008 | 36 | 2008 |