| Direct observation on p-to n-type transformation of perovskite surface region during defect passivation driving high photovoltaic efficiency S Xiong, Z Hou, S Zou, X Lu, J Yang, T Hao, Z Zhou, J Xu, Y Zeng, W Xiao, ... Joule 5 (2), 467-480, 2021 | 278 | 2021 |
| High carrier mobility in monolayer CVD-grown MoS 2 through phonon suppression N Huo, Y Yang, YN Wu, XG Zhang, ST Pantelides, G Konstantatos Nanoscale 10 (31), 15071-15077, 2018 | 96 | 2018 |
| First-principles studies of TaO polymorphs YN Wu, L Li, HP Cheng Physical Review B—Condensed Matter and Materials Physics 83 (14), 144105, 2011 | 81 | 2011 |
| Sliding ferroelectricity in van der Waals layered γ-InSe semiconductor F Sui, M Jin, Y Zhang, R Qi, YN Wu, R Huang, F Yue, J Chu Nature Communications 14 (1), 36, 2023 | 60 | 2023 |
| Two bonding configurations for individually adsorbed molecules on Au(111) L Tang, X Zhang, Q Guo, YN Wu, LL Wang, HP Cheng Physical Review B—Condensed Matter and Materials Physics 82 (12), 125414, 2010 | 55 | 2010 |
| Unified interatomic potential and energy barrier distributions for amorphous oxides JP Trinastic, R Hamdan, Y Wu, L Zhang, HP Cheng The Journal of chemical physics 139 (15), 2013 | 52 | 2013 |
| Intrinsic Defect Limit to the Growth of Orthorhombic HfO2 and (Hf,Zr)O2 with Strong Ferroelectricity: First‐Principles Insights J Wei, L Jiang, M Huang, Y Wu, S Chen Advanced Functional Materials 31 (42), 2104913, 2021 | 49 | 2021 |
| Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO3 YN Wu, WA Saidi, JK Wuenschell, T Tadano, P Ohodnicki, B Chorpening, ... The Journal of Physical Chemistry Letters 11 (7), 2518-2523, 2020 | 45 | 2020 |
| Additive‐induced synergies of defect passivation and energetic modification toward highly efficient perovskite solar cells S Xiong, Z Hou, W Dong, D Li, J Yang, R Bai, Y Wu, D Li, H Wu, Z Ma, ... Advanced Energy Materials 11 (29), 2101394, 2021 | 41 | 2021 |
| First-principles exploration of oxygen vacancy impact on electronic and optical properties of ABO 3− δ (A= La, Sr; B= Cr, Mn) perovskites J Park, YN Wu, WA Saidi, B Chorpening, Y Duan Physical Chemistry Chemical Physics 22 (46), 27163-27172, 2020 | 35 | 2020 |
| Fundamental resolution of difficulties in the theory of charged point defects in semiconductors YN Wu, XG Zhang, ST Pantelides Physical review letters 119 (10), 105501, 2017 | 35 | 2017 |
| Adsorption of small molecules on silver clusters YN Wu, M Schmidt, J Leygnier, HP Cheng, A Masson, C Bréchignac The Journal of Chemical Physics 136 (2), 2012 | 31 | 2012 |
| Halide double‐perovskite light‐emitting centers embedded in lattice‐matched and coherent crystalline matrix CM Dai, T Zhang, YN Wu, S Chen Advanced Functional Materials 30 (17), 2000653, 2020 | 29 | 2020 |
| OPAL: A multiscale multicenter simulation package based on MPI‐2 protocol C Cao, Y Chen, Y Wu, E Deumens, HP Cheng International Journal of Quantum Chemistry 111 (15), 4020-4029, 2011 | 23 | 2011 |
| Theoretical and experimental study of temperature effect on electronic and optical properties of TiO2: comparing rutile and anatase YN Wu, JK Wuenschell, R Fryer, WA Saidi, P Ohodnicki, B Chorpening, ... Journal of Physics: Condensed Matter 32 (40), 405705, 2020 | 22 | 2020 |
| Adsorption of tris (8-hydroxyquinoline) aluminum molecules on cobalt surfaces YP Wang, XF Han, YN Wu, HP Cheng Physical Review B—Condensed Matter and Materials Physics 85 (14), 144430, 2012 | 22 | 2012 |
| First-Principles Investigations of the Temperature Dependence of Electronic Structure and Optical Properties of Rutile TiO2 YN Wu, WA Saidi, P Ohodnicki, B Chorpening, Y Duan The Journal of Physical Chemistry C 122 (39), 22642-22649, 2018 | 20 | 2018 |
| Effective lifetime of non-equilibrium carriers in semiconductors from non-adiabatic molecular dynamics simulations S Wang, M Huang, YN Wu, W Chu, J Zhao, A Walsh, XG Gong, SH Wei, ... Nature Computational Science 2 (8), 486-493, 2022 | 19 | 2022 |
| Defect Physics of Ternary Semiconductor with a High Density of Anion-Cation Antisites: A First-Principles Study M Huang, SS Wang, YN Wu, S Chen Physical Review Applied 15 (2), 024035, 2021 | 19 | 2021 |
| Revealing buried heterointerface energetics towards highly efficient perovskite solar cells S Xiong, S Jiang, Y Zhang, Z Lv, R Bai, Y Yan, Q Zeng, X Xu, L Ding, ... Nano Energy 109, 108281, 2023 | 16 | 2023 |
