| Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2 M Wu, X Yao, Y Hao, H Dong, Y Cheng, H Liu, F Lu, W Wang, K Cho, ... Physics Letters A 382 (2-3), 111-115, 2018 | 60 | 2018 |
| Toward a general understanding of exciton self-trapping in metal halide perovskites Z Xu, X Jiang, H Cai, K Chen, X Yao, Y Feng The Journal of Physical Chemistry Letters 12 (43), 10472-10478, 2021 | 48 | 2021 |
| Manganese (II) phosphate nanosheet assembly with native out-of-plane Mn centres for electrocatalytic water oxidation H Liu, X Gao, X Yao, M Chen, G Zhou, J Qi, X Zhao, W Wang, W Zhang, ... Chemical Science 10 (1), 191-197, 2019 | 45 | 2019 |
| Metal/graphene composites with strong metal–S bondings for sulfur immobilization in Li–S batteries X Yao, J Xu, Z Hong, G Li, X Wang, F Lu, W Wang, H Liu, C Liang, Z Lin, ... The Journal of Physical Chemistry C 122 (6), 3263-3272, 2018 | 37 | 2018 |
| First Principles Design of High Hole Mobility p-Type Sn–O–X Ternary Oxides: Valence Orbital Engineering of Sn2+ in Sn2+–O–X by Selection of Appropriate Elements X Y Hu, X Yao, DG Schlom, S Datta, K Cho Chemistry of Materials 33 (1), 212-225, 2020 | 32 | 2020 |
| Electronic properties and native point defects of high efficient NO oxidation catalysts SmMn2O5 HB Li, Z Yang, J Liu, X Yao, K Xiong, H Liu, WH Wang, F Lu, W Wang Applied Physics Letters 109 (21), 2016 | 29 | 2016 |
| Rational design of Si/TiO2 heterojunction photocatalysts: Transfer matrix method X Yao, L Chen, M Liu, D Feng, C Wang, F Lu, W Wang, X Wang, Y Cheng, ... Applied Catalysis B: Environmental 221, 70-76, 2018 | 28 | 2018 |
| The atomic structures of carbon nitride sheets for cathode oxygen reduction catalysis Y Feng, X Yao, M Wang, Z Hu, X Luo, HT Wang, L Zhang The Journal of Chemical Physics 138 (16), 2013 | 25 | 2013 |
| SnS2 Nanoplates with Specific Facets Exposed for Enhanced Visible‐Light‐Driven Photocatalysis E Huang, X Yao, W Wang, G Wu, N Guan, L Li ChemPhotoChem 1 (2), 60-69, 2017 | 24 | 2017 |
| Influence of B-site transition metal on NO oxidation over LaBO3 (B= Mn, Fe and Co) perovskite catalysts X Yao, J Liu, W Wang AIP Advances 8 (11), 2018 | 16 | 2018 |
| Origin of OER catalytic activity difference of oxygen-deficient perovskites A2Mn2O5 (A= Ca, Sr): a theoretical study X Yao, J Liu, W Wang, F Lu, W Wang The Journal of Chemical Physics 146 (22), 2017 | 14 | 2017 |
| Nuclear Quantum Effects on the Charge-Density Wave Transition in NbX2 (X = S, Se) Y Zheng, X Jiang, XX Xue, X Yao, J Zeng, KQ Chen, E Wang, Y Feng Nano Letters 22 (5), 1858-1865, 2022 | 10 | 2022 |
| Passivating a transition-metal surface for more uniform growth of graphene: Effect of Au alloying on Ni (111) Y Feng, X Yao, Z Hu, JJ Xu, L Zhang Physical Review B 87 (19), 195421, 2013 | 9 | 2013 |
| Real-time ab initio simulation of inelastic electron scattering using the exact, density functional, and alternative approaches Y Lee, X Yao, MV Fischetti, K Cho Physical Chemistry Chemical Physics 22 (16), 8616-8624, 2020 | 8 | 2020 |
| Design rules of pseudocapacitive electrode materials: ion adsorption, diffusion, and electron transmission over prototype TiO2 L Wang, X Yao, D Chen, J Wang, Z Zhang, J Liu, T Lin, WH Wang, Z Hong, ... Science China Materials 65 (2), 391-399, 2022 | 5 | 2022 |
| Dimerization of boron dopant in diamond (100) epitaxy induced by strong pair correlation on the surface X Yao, Y Feng, Z Hu, L Zhang, EG Wang Journal of Physics: Condensed Matter 25 (4), 045011, 2012 | 5 | 2012 |
| Nonadiabatic dynamics of cobalt tricarbonyl nitrosyl for ligand dissociation induced by electronic excitation Y Lee, G Kolesov, X Yao, E Kaxiras, K Cho Scientific reports 11 (1), 8997, 2021 | 3 | 2021 |
| Zinc ion modulation of hydrated vanadium pentoxide for high-performance aqueous zinc ion batteries J Wu, L Yang, S Wang, X Yao, J Wang, A Abliz, X Xie, H Mi, H Li Journal of Power Sources 595, 234057, 2024 | 1 | 2024 |
| First-Principles Study on Electron-Induced Excitations of Atomic Layer Deposition Precursors: Inelastic Electron Wave Packet Scattering with Cobalt Tricarbonyl Nitrosyl Co (CO … X Yao, Y Lee, D Ceresoli, K Cho The Journal of Physical Chemistry A 125 (21), 4524-4533, 2021 | 1 | 2021 |
| Predicting structural, electronic, and optical properties of mixed-phase LiMg0. 5X0. 5PO4 (X= lanthanide) via first-principles study Z Zheng, E Cui, C Yu, X Yao Results in Physics, 107414, 2024 | | 2024 |
Wang WeichaoNankai UniversityVerified email at nankai.edu.cn
