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RESEARCH PAPER · Journal of the American Chemical Society · 2024

Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides

Yuanding Yu, Shiyi Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type OxychalcogenidesOriginalFrom [Ba3S][GeS4] to [Ba3CO3][MS4] (M = Ge, Sn): Enhancing optical anisotropy in IR birefringent crystals via functional group implantation11La 3 (Ga 3 S 3 O 3 )(Si 2 O 7 ): An Oxychalcogenide Demonstrating Ultrawide Optical Bandgap and Favorable Birefringence Propelled by Divergent Anionic Groups6Cd 5 Te 4 O 12 X 2 (X = Cl, Br, I): a new oxyhalide family with [CdO 4 X] mixed anionic units and adjustable optical properties4Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio14A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design40A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design3Recent progress in structural design strategies of high-birefringence optical crystals54Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)3Eu(II) 4 Eu(III) 2 Ge 3 S 11 O 2 : a Single‐Element Mixed‐Valence Engineering Breakthrough for Strongly Enhanced Nonlinearity and Anisotropy in Rare‐Earth Oxysulfides8Synergistic Enhancement of Band Gap and Optical Anisotropy via Functional-Site Cosubstitution in Antiperovskite-Type Chalcohalides [Ba2K][X][MS4] (M = Ge, Si; X = Cl, Br)2LnEuGa3OS6 (Ln = La, Pr, Nd): three dual rare earth metal-based oxychalcogenides with good IR nonlinear optical performances1Assembly of Highly Polarizable “Linkers” with Heteroleptic Groups for Inducing Large Optical Anisotropy in Ba2SnIIGe3O8S and Ba3SnIIGe3O2S82Structural Modulation in Short Peptide Crystals from Centrosymmetric to Noncentrosymmetric Achieving Piezoelectricity3BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances2Heterocationic strategy to design a nonlinear optical crystal with a polar anti-perovskite structure7高性能硫属化物红外非线性光学材料构效关系（特邀）0Polar Antiperovskite Oxides: Promising Mid-Infrared Nonlinear Optical Materials with Strong Second-Harmonic Generation2Achieving phase matching in infrared nonlinear optical crystal Cd3ZnSiS6 via isovalent substitution from Cd4SiS60High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification6High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification2Design of a High-Performance Infrared Nonlinear Optical Crystal via a Multiple Flexible-Group Synergistic Polarization Strategy10Enhanced Birefringence in Organic–Inorganic Hybrid Antimony Halides via Partial Halogen Substitution1Halogen-Electronegativity Tuning Induces Symmetry Breaking and Polarity Activation in Chiral Zinc Halide Hybrids0A new phase and transformation mechanism in BaGa4Se7 infrared nonlinear optical crystal0Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance3AVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions0Eu5ZnGa6S15, Eu5Zn3Ga2Sn2S15, and Pb5HgGa6S15: Crystal Chemistry and Nonlinear Optical Properties0Λ‐Shaped Dimers Enables Polar Antiperovskites Through A‐Site Displacement Mechanism0

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29 direct citing papers saved.

  1. From [Ba3S][GeS4] to [Ba3CO3][MS4] (M = Ge, Sn): Enhancing optical anisotropy in IR birefringent crystals via functional group implantation

    Chinese Journal of Structural Chemistry · 2024-10-24

    Yong‐Fang Shi, Shenghua Zhou, Zuju Ma, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  2. La 3 (Ga 3 S 3 O 3 )(Si 2 O 7 ): An Oxychalcogenide Demonstrating Ultrawide Optical Bandgap and Favorable Birefringence Propelled by Divergent Anionic Groups

    ACS Materials Letters · 2024-12-19

    Ming‐Shu Zhang, Shao‐Min Pei, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  3. Cd 5 Te 4 O 12 X 2 (X = Cl, Br, I): a new oxyhalide family with [CdO 4 X] mixed anionic units and adjustable optical properties

    Dalton Transactions · 2025-01-01

    Maqsood Iqbal, Jiazheng Zhou, Hongshan Wang, Juanjuan Lu, Shilie Pan, Junjie Li

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  4. Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio

    Advanced Functional Materials · 2025-01-17

    Shaoxin Cui, Shuoxing Yang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  5. A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design

    Angewandte Chemie International Edition · 2025-03-11

    Haonan Liu, Xuming Zhai, Xinru Li, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  6. A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design

    Angewandte Chemie · 2025-03-11

    Haonan Liu, Xuming Zhai, Xinru Li, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  7. Recent progress in structural design strategies of high-birefringence optical crystals

    Coordination Chemistry Reviews · 2025-05-08

    A-Lan Xu, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  8. Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)

    Inorganic Chemistry · 2025-05-26

    Chao Yang Feng, Shuoxing Yang, Chenyu Zhu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  9. Eu(II) 4 Eu(III) 2 Ge 3 S 11 O 2 : a Single‐Element Mixed‐Valence Engineering Breakthrough for Strongly Enhanced Nonlinearity and Anisotropy in Rare‐Earth Oxysulfides

    Small · 2025-07-10

    Jingjing Xu, Yan Xiao, Dazhi Lu, Bingbing Zhang, Kui Wu, Haohai Yu, Huaijin Zhang

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  10. Synergistic Enhancement of Band Gap and Optical Anisotropy via Functional-Site Cosubstitution in Antiperovskite-Type Chalcohalides [Ba2K][X][MS4] (M = Ge, Si; X = Cl, Br)

    Inorganic Chemistry · 2025-08-26

    Yong‐Fang Shi, Shenghua Zhou, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  11. LnEuGa3OS6 (Ln = La, Pr, Nd): three dual rare earth metal-based oxychalcogenides with good IR nonlinear optical performances

    Materials Today Chemistry · 2025-09-17

    Jiaxue Wang, Binqiang Chai, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  12. Assembly of Highly Polarizable “Linkers” with Heteroleptic Groups for Inducing Large Optical Anisotropy in Ba2SnIIGe3O8S and Ba3SnIIGe3O2S8

    Inorganic Chemistry · 2025-09-30

    Jiaxue Wang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  13. Structural Modulation in Short Peptide Crystals from Centrosymmetric to Noncentrosymmetric Achieving Piezoelectricity

    ACS Applied Materials & Interfaces · 2025-10-17

    Mei‐Ling Tan, Yuanyu Luo, Shuaijie Liu, Yehong Huo, Jingwen Zhao, XU Xiao-hui, Jinlin Song, Wei Ji

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  14. BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach

    Materials Today Chemistry · 2025-10-25

    Puxuan Wang, Deman Kong, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  15. Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances

    Inorganic Chemistry Frontiers · 2025-11-24

    Jiaxue Wang, Yixin Song, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  16. Heterocationic strategy to design a nonlinear optical crystal with a polar anti-perovskite structure

    Nature Communications · 2025-12-12

    Shuoxing Yang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  17. 高性能硫属化物红外非线性光学材料构效关系（特邀）

    Chinese Journal of Lasers · 2026-01-01

    张成龙 Zhang Chenglong, 王硕 Wang Shuo, Ailijiang Abudurusuli, 黄君本 Huang Junben

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  18. Polar Antiperovskite Oxides: Promising Mid-Infrared Nonlinear Optical Materials with Strong Second-Harmonic Generation

    Chemistry of Materials · 2026-03-26

    Yunseung Kuk, Kang Min Ok, P. Shiv Halasyamani

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  19. Achieving phase matching in infrared nonlinear optical crystal Cd3ZnSiS6 via isovalent substitution from Cd4SiS6

    Journal of Solid State Chemistry · 2026-04-02

    Ya Yang, Yan Xiao, Ying Zhang, Weiping Guo, Ziwei Li, Bingbing Zhang, Guoqiang Wang, Naifeng Zhuang, Zhong‐Zhen Luo, Zhigang Zou

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  20. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie International Edition · 2026-04-24

    Yan Xiao, Zhaoxi Yu, Yumiao Niu, Yidan Chen, Lin Shen, Daqing Yang, Ying Wang, Bingbing Zhang

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  21. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie · 2026-04-24

    Yan Xiao, Zhaoxi Yu, Yumiao Niu, Yidan Chen, Lin Shen, Daqing Yang, Ying Wang, Bingbing Zhang

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  22. Design of a High-Performance Infrared Nonlinear Optical Crystal via a Multiple Flexible-Group Synergistic Polarization Strategy

    Journal of the American Chemical Society · 2026-04-25

    Lihua Gao, Xuemei Shi, Jing Kong, Frederick P. Marlton, Brendan J. Kennedy, Guang Peng, Ning Ye, Jindong Chen

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  23. Enhanced Birefringence in Organic–Inorganic Hybrid Antimony Halides via Partial Halogen Substitution

    Crystal Growth & Design · 2026-05-25

    Qin Zhang, Luli Wang, Xuemei Lan, Liling Cao, Xuehua Dong, Ling Huang, Guohong Zou

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  24. Halogen-Electronegativity Tuning Induces Symmetry Breaking and Polarity Activation in Chiral Zinc Halide Hybrids

    Inorganic Chemistry · 2026-07-08

    Zhuangzhi Hu, Zhuangzhi Hu, Yuxuan Wu, Yujie Zhang, C L Li, H Liu, HS Wu, Zhanggui Hu, Zhanggui Hu, Hongwei Yu

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  25. A new phase and transformation mechanism in BaGa4Se7 infrared nonlinear optical crystal

    Chinese Chemical Letters · 2026-08-01

    Yu-Jie Zhang, Zhen Qian, Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  26. Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance

    Advanced Functional Materials · 2026-08-06

    Mao‐Yin Ran, Shao-Peng Gui, Jian Cheng, Yu‐Xuan Zhang, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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  27. AVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions

    Inorganic Chemistry · 2026-08-11

    Shao-Peng Gui, Zi-Nan Chen, Wei-Hua Yan, Yu‐Xuan Zhang, Mao‐Yin Ran, Sheng‐Ping Guo

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  28. Eu5ZnGa6S15, Eu5Zn3Ga2Sn2S15, and Pb5HgGa6S15: Crystal Chemistry and Nonlinear Optical Properties

    Inorganic Chemistry · 2026-08-12

    Xu‐Bin Ni, Qiu-Yang Du, Wen‐Dong Yao, Si Yang, Wen-Rui Zhou, Wenfeng Zhou, Ru‐Ling Tang, Sheng‐Ping Guo

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  29. Λ‐Shaped Dimers Enables Polar Antiperovskites Through A‐Site Displacement Mechanism

    Advanced Functional Materials · 2026-08-30

    Shuoxing Yang, Hongping Wu, Zhanggui Hu, Hongwei Yu

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