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
254 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
93 2018 First-principles studies of Ta 2 O 5 polymorphs YN Wu, L Li, HP Cheng
Physical Review B 83 (14), 144105, 2011
81 2011 Two bonding configurations for individually adsorbed C 60 molecules on Au (111) L Tang, X Zhang, Q Guo, YN Wu, LL Wang, HP Cheng
Physical Review B 82 (12), 125414, 2010
54 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
50 2013 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
46 2020 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
44 2023 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
43 2021 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
37 2021 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
34 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
31 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
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
27 2020 Adsorption of tris (8-hydroxyquinoline) aluminum molecules on cobalt surfaces YP Wang, XF Han, YN Wu, HP Cheng
Physical Review B 85 (14), 144430, 2012
22 2012 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
21 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
20 2020 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 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
16 2021 First-principles calculations reveal controlling principles for carrier mobilities in semiconductors YN Wu, XG Zhang, ST Pantelides
Semiconductor Science and Technology 31 (11), 115016, 2016
15 2016 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
14 2022