| Ultra-low thermal conductivity and high thermoelectric performance of two-dimensional triphosphides (InP 3, GaP 3, SbP 3 and SnP 3): a comprehensive first-principles study Z Sun, K Yuan, Z Chang, S Bi, X Zhang, D Tang Nanoscale 12 (5), 3330-3342, 2020 | 91 | 2020 |
| Effects of tensile strain and finite size on thermal conductivity in monolayer WSe 2 K Yuan, X Zhang, L Li, D Tang Physical Chemistry Chemical Physics 21 (1), 468-477, 2019 | 73 | 2019 |
| Lattice thermal conductivity prediction using symbolic regression and machine learning C Loftis, K Yuan, Y Zhao, M Hu, J Hu The Journal of Physical Chemistry A 125 (1), 435-450, 2020 | 67 | 2020 |
| Anomalous pressure effect on the thermal conductivity of ZnO, GaN, and AlN from first-principles calculations K Yuan, X Zhang, D Tang, M Hu Physical Review B 98 (14), 144303, 2018 | 59 | 2018 |
| A first-principles study of the thermoelectric properties of rhombohedral GeSe K Yuan, Z Sun, X Zhang, X Gong, D Tang Physical Chemistry Chemical Physics 22 (4), 1911-1922, 2020 | 39 | 2020 |
| Self-assembled monolayers for the polymer/semiconductor interface with improved interfacial thermal management J Lu, K Yuan, F Sun, K Zheng, Z Zhang, J Zhu, X Wang, X Zhang, ... ACS applied materials & interfaces 11 (45), 42708-42714, 2019 | 39 | 2019 |
| Predicting elastic properties of materials from electronic charge density using 3D deep convolutional neural networks Y Zhao, K Yuan, Y Liu, SY Louis, M Hu, J Hu The Journal of Physical Chemistry C 124 (31), 17262-17273, 2020 | 34 | 2020 |
| Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation K Yuan, M Sun, Z Wang, D Tang International Journal of Thermal Sciences 98, 24-31, 2015 | 34 | 2015 |
| Disparate strain response of the thermal transport properties of bilayer penta-graphene as compared to that of monolayer penta-graphene Z Sun, K Yuan, X Zhang, G Qin, X Gong, D Tang Physical Chemistry Chemical Physics 21 (28), 15647-15655, 2019 | 33 | 2019 |
| Antibonding induced anharmonicity leading to ultralow lattice thermal conductivity and extraordinary thermoelectric performance in CsK 2 X (X= Sb, Bi) K Yuan, X Zhang, Z Chang, D Tang, M Hu Journal of Materials Chemistry C 10 (42), 15822-15832, 2022 | 27 | 2022 |
| Efficient thermal conductivity modulation by manipulating interlayer interactions: A comparative study of bilayer graphene and graphite Z Sun, K Yuan, Z Chang, X Zhang, G Qin, D Tang Journal of Applied Physics 126 (12), 2019 | 25 | 2019 |
| Electric field tuned anisotropic to isotropic thermal transport transition in monolayer borophene without altering its atomic structure Z Yang, K Yuan, J Meng, M Hu Nanoscale 12 (37), 19178-19190, 2020 | 24 | 2020 |
| First-principles investigation of the significant anisotropy and ultrahigh thermoelectric efficiency of a novel two-dimensional Ga2I2S2 at room temperature Z Chang, K Liu, Z Sun, K Yuan, S Cheng, Y Gao, X Zhang, C Shen, ... International Journal of Extreme Manufacturing 4 (2), 025001, 2022 | 23 | 2022 |
| Why thermal conductivity of CaO is lower than that of CaS: a study from the perspective of phonon splitting of optical mode Z Yang, K Yuan, J Meng, X Zhang, D Tang, M Hu Nanotechnology 32 (2), 025709, 2020 | 23 | 2020 |
| Tailoring phononic, electronic, and thermoelectric properties of orthorhombic GeSe through hydrostatic pressure K Yuan, Z Sun, X Zhang, D Tang Scientific reports 9 (1), 9490, 2019 | 23 | 2019 |
| Molecular dynamics simulation of thermal boundary conductance between horizontally aligned carbon nanotube and graphene Z Wang, J Li, K Yuan International Journal of Thermal Sciences 132, 589-596, 2018 | 22 | 2018 |
| Pressure tuning of the thermal conductivity of gallium arsenide from first-principles calculations Z Sun, K Yuan, X Zhang, D Tang Physical Chemistry Chemical Physics 20 (48), 30331-30339, 2018 | 22 | 2018 |
| Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach A Rodriguez, C Lin, C Shen, K Yuan, M Al-Fahdi, X Zhang, H Zhang, ... Communications Materials 4 (1), 61, 2023 | 18 | 2023 |
| First-principles analysis of phonon thermal transport properties of two-dimensional WS2/WSe2 heterostructures Z Chang, K Yuan, Z Sun, X Zhang, Y Gao, X Gong, D Tang Chinese Physics B 30 (3), 034401, 2021 | 18 | 2021 |
| First-principles calculations of interfacial thermal transport properties between SiC/Si substrates and compounds of boron with selected group V elements Z Sun, K Yuan, X Zhang, D Tang Physical Chemistry Chemical Physics 21 (11), 6011-6020, 2019 | 18 | 2019 |
