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Xingang zhao
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Design of lead-free inorganic halide perovskites for solar cells via cation-transmutation
XG Zhao, JH Yang, Y Fu, D Yang, Q Xu, L Yu, SH Wei, L Zhang
Journal of the American Chemical Society 139 (7), 2630-2638, 2017
8092017
Rational design of halide double perovskites for optoelectronic applications
XG Zhao, D Yang, JC Ren, Y Sun, Z Xiao, L Zhang
Joule 2 (9), 1662-1673, 2018
3562018
Cu–In halide perovskite solar absorbers
XG Zhao, D Yang, Y Sun, T Li, L Zhang, L Yu, A Zunger
Journal of the American Chemical Society 139 (19), 6718-6725, 2017
3472017
Chlorine-incorporation-induced formation of the layered phase for antimony-based lead-free perovskite solar cells
F Jiang, D Yang, Y Jiang, T Liu, X Zhao, Y Ming, B Luo, F Qin, J Fan, ...
Journal of the American Chemical Society 140 (3), 1019-1027, 2018
2852018
Polymorphous nature of cubic halide perovskites
XG Zhao, GM Dalpian, Z Wang, A Zunger
Physical Review B 101 (15), 155137, 2020
1702020
Functionality-directed screening of Pb-free hybrid organic–inorganic perovskites with desired intrinsic photovoltaic functionalities
D Yang, J Lv, X Zhao, Q Xu, Y Fu, Y Zhan, A Zunger, L Zhang
Chemistry of Materials 29 (2), 524-538, 2017
1552017
Doping the Alkali Atom: An Effective Strategy to Improve the Electronic and Nonlinear Optical Properties of the Inorganic Al12N12 Nanocage
M Niu, G Yu, G Yang, W Chen, X Zhao, X Huang
Inorganic chemistry 53 (1), 349-358, 2014
1472014
Thermochromic lead‐free halide double perovskites
W Ning, XG Zhao, J Klarbring, S Bai, F Ji, F Wang, SI Simak, Y Tao, ...
Advanced Functional Materials 29 (10), 1807375, 2019
1392019
Intrinsic defect properties in halide double perovskites for optoelectronic applications
T Li, X Zhao, D Yang, MH Du, L Zhang
Physical Review Applied 10 (4), 041001, 2018
1342018
Pseudohalide‐Induced Recrystallization Engineering for CH3NH3PbI3 Film and Its Application in Highly Efficient Inverted Planar Heterojunction Perovskite Solar …
H Dong, Z Wu, J Xi, X Xu, L Zuo, T Lei, X Zhao, L Zhang, X Hou, AKY Jen
Advanced Functional Materials 28 (2), 1704836, 2018
1342018
InSe: a two-dimensional material with strong interlayer coupling
Y Sun, S Luo, XG Zhao, K Biswas, SL Li, L Zhang
Nanoscale 10 (17), 7991-7998, 2018
1162018
Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials
Z Ran, X Wang, Y Li, D Yang, XG Zhao, K Biswas, DJ Singh, L Zhang
npj Computational Materials 4 (1), 14, 2018
1052018
Constructing (super) alkali–boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M 3 O–BC 59 (M= Li, Na and K …
C Tu, G Yu, G Yang, X Zhao, W Chen, S Li, X Huang
Physical Chemistry Chemical Physics 16 (4), 1597-1606, 2014
742014
Formation and composition-dependent properties of alloys of cubic halide perovskites
GM Dalpian, XG Zhao, L Kazmerski, A Zunger
Chemistry of Materials 31 (7), 2497-2506, 2019
602019
Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites
XG Zhao, Z Wang, OI Malyi, A Zunger
Materials Today 49, 107-122, 2021
532021
Realization of predicted exotic materials: The burden of proof
OI Malyi, GM Dalpian, XG Zhao, Z Wang, A Zunger
Materials Today 32, 35-45, 2020
442020
JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics
XG Zhao, K Zhou, B Xing, R Zhao, S Luo, T Li, Y Sun, G Na, J Xie, X Yang, ...
Science Bulletin 66 (19), 1973-1985, 2021
402021
Understanding electronic peculiarities in tetragonal FeSe as local structural symmetry breaking
Z Wang, XG Zhao, R Koch, SJL Billinge, A Zunger
Physical Review B 102 (23), 235121, 2020
382020
Constructing a mixed π-conjugated bridge: a simple and effective approach to realize a large first hyperpolarizability in carbon nanotube-based systems
G Yu, X Zhao, M Niu, X Huang, H Zhang, W Chen
Journal of Materials Chemistry C 1 (24), 3833-3841, 2013
382013
Mass enhancement in and perovskites from symmetry breaking
Z Wang, OI Malyi, X Zhao, A Zunger
Physical Review B 103 (16), 165110, 2021
352021
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