| Discovering lead-free perovskite solar materials with a split-anion approach YY Sun, J Shi, J Lian, W Gao, ML Agiorgousis, P Zhang, S Zhang Nanoscale 8 (12), 6284-6289, 2016 | 138 | 2016 |
| Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects W Gao, X Gao, TA Abtew, YY Sun, S Zhang, P Zhang Physical Review B 93 (8), 085202, 2016 | 92 | 2016 |
| Speeding up GW calculations to meet the challenge of large scale quasiparticle predictions W Gao, W Xia, X Gao, P Zhang Scientific reports 6 (1), 36849, 2016 | 75 | 2016 |
| Optically Driven Magnetic Phase Transition of Monolayer RuCl3 Y Tian, W Gao, EA Henriksen, JR Chelikowsky, L Yang Nano Letters 19 (11), 7673-7680, 2019 | 63 | 2019 |
| Near-edge band structures and band gaps of Cu-based semiconductors predicted by the modified Becke-Johnson potential plus an on-site Coulomb U Y Zhang, J Zhang, W Gao, TA Abtew, Y Wang, P Zhang, W Zhang The Journal of chemical physics 139 (18), 2013 | 57 | 2013 |
| On the applicability of hybrid functionals for predicting fundamental properties of metals W Gao, TA Abtew, T Cai, YY Sun, S Zhang, P Zhang Solid State Communications 234, 10-13, 2016 | 55 | 2016 |
| Quasiparticle band structures of CuCl, CuBr, AgCl, and AgBr: The extreme case W Gao, W Xia, Y Wu, W Ren, X Gao, P Zhang Physical Review B 98 (4), 045108, 2018 | 42 | 2018 |
| Defect tolerance in chalcogenide perovskite photovoltaic material BaZrS3 X Wu, W Gao, J Chai, C Ming, M Chen, H Zeng, P Zhang, S Zhang, ... Science China Materials 64 (12), 2976-2986, 2021 | 37 | 2021 |
| Theory of Oxygen-Boron Vacancy Defect in Cubic Boron Nitride: A Diamond Isoelectronic Center TA Abtew, W Gao, X Gao, YY Sun, SB Zhang, P Zhang Physical review letters 113 (13), 136401, 2014 | 32 | 2014 |
| Prediction of intrinsic ferroelectricity and large piezoelectricity in monolayer arsenic chalcogenides W Gao, JR Chelikowsky Nano Letters 20 (11), 8346-8352, 2020 | 29 | 2020 |
| Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4 Y Wu, Z Tang, W Xia, W Gao, F Jia, Y Zhang, W Zhu, W Zhang, P Zhang npj Computational Materials 8 (1), 129, 2022 | 28* | 2022 |
| Engineering the near-edge electronic structure of SnSe through strains Y Wu, W Xia, W Gao, W Ren, P Zhang Physical Review Applied 8 (3), 034007, 2017 | 27 | 2017 |
| Accelerating time-dependent density functional theory and GW calculations for molecules and nanoclusters with symmetry adapted interpolative separable density fitting W Gao, JR Chelikowsky Journal of Chemical Theory and Computation 16 (4), 2216-2223, 2020 | 26 | 2020 |
| Quasiparticle electronic structure of honeycomb C3N: from monolayer to bulk Y Wu, W Xia, W Gao, F Jia, P Zhang, W Ren 2D Materials 6 (1), 015018, 2018 | 25 | 2018 |
| Real-Space Based Benchmark of G0W0 Calculations on GW100: Effects of Semicore Orbitals and Orbital Reordering W Gao, JR Chelikowsky Journal of Chemical Theory and Computation 15 (10), 5299-5307, 2019 | 18 | 2019 |
| Combined subsampling and analytical integration for efficient large-scale GW calculations for 2D systems W Xia, W Gao, G Lopez-Candales, Y Wu, W Ren, W Zhang, P Zhang npj Computational Materials 6 (1), 118, 2020 | 12 | 2020 |
| Multiferroicity in a Two-Dimensional Non-van der Waals Crystal of AgCr2X4 (X = S or Se) Y Zhao, Q Liu, F Zhang, X Jiang, W Gao, J Zhao The Journal of Physical Chemistry Letters 13 (48), 11346-11353, 2022 | 8 | 2022 |
| Sumanene Monolayer of Pure Carbon: A Two‐Dimensional Kagome‐Analogy Lattice with Desirable Band Gap, Ultrahigh Carrier Mobility, and Strong Exciton Binding Energy X Shi, W Gao, H Liu, ZG Fu, G Zhang, YW Zhang, T Liu, J Zhao, J Gao Small 18 (40), 2203274, 2022 | 8 | 2022 |
| Strong Dzyaloshinskii-Moriya interaction in monolayer on metal substrates F Zhang, X Li, Y Wu, X Wang, J Zhao, W Gao Physical Review B 106 (10), L100407, 2022 | 8 | 2022 |
| Quasiparticle energies and optical excitations of 3C-SiC divacancy from and plus Bethe-Salpeter equation calculations W Gao, FH da Jornada, M Del Ben, J Deslippe, SG Louie, ... Physical Review Materials 6 (3), 036201, 2022 | 8 | 2022 |
Peihong ZhangProfessor of Physics, University at Buffalo在 buffalo.edu 的电子邮件经过验证
