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Weiwei Gao
Weiwei Gao
Other names高威帷(大连理工大学)
Dalian University of Technology, Liaoning, China
Verified email at buffalo.edu - Homepage
Title
Cited by
Cited by
Year
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
1332016
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
922016
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
712016
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
592019
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
532013
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
512016
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
412018
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
312014
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
282021
Prediction of intrinsic ferroelectricity and large piezoelectricity in monolayer arsenic chalcogenides
W Gao, JR Chelikowsky
Nano Letters 20 (11), 8346-8352, 2020
282020
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
272017
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
24*2022
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
232020
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
232018
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
162019
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
82022
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
62022
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
62022
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
62020
The stability, electronic structure, and optical absorption of boron-nitride diamondoids predicted with first-principles calculations
W Gao, L Hung, S Ogut, JR Chelikowsky
Physical Chemistry Chemical Physics 20 (28), 19188-19194, 2018
62018
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Articles 1–20