| Electrical and optical behaviors of SiC (GeC)/MoS 2 heterostructures: a first principles study YC Rao, S Yu, XM Duan Physical Chemistry Chemical Physics 19 (26), 17250-17255, 2017 | 56 | 2017 |
| Prediction of MoO2 as high capacity electrode material for (Na, K, Ca)-ion batteries YC Rao, S Yu, X Gu, XM Duan Applied Surface Science 479, 64-69, 2019 | 53 | 2019 |
| C 2 N: an excellent catalyst for the hydrogen evolution reaction S Yu, YC Rao, HH Wu, XM Duan Physical Chemistry Chemical Physics 20 (44), 27970-27974, 2018 | 36 | 2018 |
| Net W monolayer: A high-performance electrode material for Li-ion batteries S Yu, YC Rao, SF Li, XM Duan Applied Physics Letters 112 (5), 2018 | 34 | 2018 |
| Theoretical design of a strain-controlled nanoporous CN membrane for helium separation YC Rao, ZQ Chu, X Gu, XM Duan Computational Materials Science 161, 53-57, 2019 | 21 | 2019 |
| Modulating the properties of monolayer C2N: A promising metal-free photocatalyst for water splitting S Yu, YC Rao, XM Duan Chinese Physics B 26 (8), 087301, 2017 | 17 | 2017 |
| Pd/Pt embedded CN monolayers as efficient catalysts for CO oxidation YC Rao, XM Duan Physical Chemistry Chemical Physics 21 (46), 25743-25748, 2019 | 16 | 2019 |
| Modulation of electronic and magnetic properties of edge hydrogenated armchair phosphorene nanoribbons by transition metal adsorption YC Rao, P Zhang, SF Li, XM Duan, SH Wei Physical Chemistry Chemical Physics 20 (18), 12916-12922, 2018 | 10 | 2018 |
| Nano‐Cone Structured Lithiophilic Ni Film on Cu Current Collector Facilitates Li+ Ion Diffusion Toward Uniform Lithium Deposition W Hu, Y Rao, P Chen, S Ju, H Ling, Y Wu, T Momma, M Li Advanced Materials Interfaces 9 (15), 2200129, 2022 | 8 | 2022 |
| The electrical properties and modulation of gC 3 N 4/β-As and gC 3 N 4/β-Sb heterostructures: a first principles study B Liang, Y Rao, X Duan RSC advances 9 (66), 38724-38729, 2019 | 8 | 2019 |
| Electrodeposited 3D lithiophilic Ni microvia host for long cycling Li metal anode at high current density Y Yang, X Huang, W Hu, Y Rao, Y Wu, S Ju Electrochimica Acta 441, 141797, 2023 | 7 | 2023 |
| High thermoelectric performance in metastable phase of silicon: A first-principles study Y Rao, CY Zhao, S Ju Applied Physics Letters 120 (16), 2022 | 7 | 2022 |
| Machine-learning prediction of Vegard's law factor and volume size factor for binary substitutional metallic solid solutions Y Zhou, Y Rao, L Zhang, S Ju, H Wang Acta Materialia 237, 118166, 2022 | 6 | 2022 |
| Large variation of electron-phonon coupling and thermal transport in two-dimensional semimetal triphosphides by modulation doping Y Rao, CY Zhao, L Shen, S Ju Physical Review B 108 (8), 085413, 2023 | 1 | 2023 |
| High-throughput discovery of metal oxides with high thermoelectric performance via interpretable feature engineering on small data S Ma, Y Rao, X Huang, S Ju arXiv preprint arXiv:2404.19613, 2024 | | 2024 |
| Heterogeneous CC bonding induced anomalous phonon transport in superhard BC2N polymorphs Y Rao, Y Wu, CY Zhao, S Ju Acta Materialia 262, 119454, 2024 | | 2024 |
| A metadata schema for lattice thermal conductivity from first-principles calculations Y Rao, Y Lu, L Zhang, S Ju, N Yu, A Zhang, L Chen, H Wang Journal of Materials Informatics 2 (4), 17, 2022 | | 2022 |
