| Materials informatics platform with three dimensional structures, workflow and thermoelectric applications M Yao, Y Wang, X Li, Y Sheng, H Huo, L Xi, J Yang, W Zhang Scientific Data 8 (1), 236, 2021 | 43 | 2021 |
| Strong electron-phonon interaction induced significant reduction in lattice thermal conductivities for single-layer MoS2 and PtSSe C Liu, M Yao, J Yang, J Xi, X Ke Materials Today Physics 15, 100277, 2020 | 37 | 2020 |
| Metallic VS 2/graphene heterostructure as an ultra-high rate and high-specific capacity anode material for Li/Na-ion batteries B Liu, T Gao, P Liao, Y Wen, M Yao, S Shi, W Zhang Physical Chemistry Chemical Physics 23 (34), 18784-18793, 2021 | 29 | 2021 |
| Functional-unit-based material design: Ultralow thermal conductivity in thermoelectrics with linear triatomic resonant bonds J Ji, Q Tang, M Yao, H Yang, Y Jin, Y Zhang, J Xi, DJ Singh, J Yang, ... Journal of the American Chemical Society 144 (40), 18552-18561, 2022 | 19 | 2022 |
| High-throughput screening of room temperature active Peltier cooling materials in Heusler compounds H Luo, X Li, Y Wang, Y Jin, M Yao, J Yang npj Computational Materials 8 (1), 199, 2022 | 16 | 2022 |
| High-throughput deformation potential and electrical transport calculations Y Jin, X Wang, M Yao, D Qiu, DJ Singh, J Xi, J Yang, L Xi npj Computational Materials 9 (1), 190, 2023 | 14 | 2023 |
| MatHub-2d: A database for transport in 2D materials and a demonstration of high-throughput computational screening for high-mobility 2D semiconducting materials M Yao, J Ji, X Li, Z Zhu, JY Ge, DJ Singh, J Xi, J Yang, W Zhang Science China Materials 66 (7), 2768-2776, 2023 | 8 | 2023 |
| Atomistic insights into the origin of high‐performance thermoelectric response in hybrid perovskites W Shi, M Yao, X Wu, T Zhou, X Yong, T Deng, H Ma, J Xi Advanced Science 10 (20), 2300666, 2023 | 8 | 2023 |
| The MatHub‐3d first‐principles repository and the applications on thermoelectrics L Liu, M Yao, Y Wang, Y Jin, J Ji, H Luo, Y Cao, Y Xiong, Y Sheng, X Li, ... Materials Genome Engineering Advances 2 (1), e21, 2024 | 5 | 2024 |
| Enhancing the electrical transport properties of two-dimensional semiconductors through interlayer interactions Q Tang, S Han, M Yao, DJ Singh, J Xi, H Liu, J Yang Energy & Environmental Science 17 (2), 611-618, 2024 | 2 | 2024 |
