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
316 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
108 2018 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
99 2023 First-principles studies of Ta YN Wu, L Li, HP Cheng
Physical Review B—Condensed Matter and Materials Physics 83 (14), 144105, 2011
89 2011 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
64 2021 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
59 2013 Two bonding configurations for individually adsorbed L Tang, X Zhang, Q Guo, YN Wu, LL Wang, HP Cheng
Physical Review B—Condensed Matter and Materials Physics 82 (12), 125414, 2010
56 2010 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
54 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
48 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
42 2017 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
37 2020 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
35 2020 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
32 2012 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
31 2022 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
30 2020 Atomic-level polarization reversal in sliding ferroelectric semiconductors F Sui, H Li, R Qi, M Jin, Z Lv, M Wu, X Liu, Y Zheng, B Liu, R Ge, YN Wu, ...
nature communications 15 (1), 3799, 2024
28 2024 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
27 2011 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
25 2023 Defect Physics of Ternary Semiconductor M Huang, SS Wang, YN Wu, S Chen
Physical Review Applied 15 (2), 024035, 2021
23 2021 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
22 2018