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RESEARCH PAPER · Advanced Optical Materials · 2022

Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance

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

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Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive PerformanceOriginalPb 3 SBrI 3 : the first Pb-based chalcohalide with multiple halogens features a unique two-dimensional structure composed of diverse Pb-centered polyhedra12Tailored Ordered Structures with Functional Units of Distorted [NbO6] and Antiparallel [GeO4] for Enhanced Birefringence in Germanate Crystal15Chalcohalides: A Rising Type of Second‐Order Nonlinear Optical Materials28The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps68γ-P 4 S 3 I 2 : a new metal-free infrared second-order nonlinear optical crystal designed by polymorphism strategy17Ba 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units8MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra2Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Rational Design of a Rare‐Earth Oxychalcogenide Nd3[Ga3O3S3][Ge2O7] with Superior Infrared Nonlinear Optical Performance64[K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV46Remarkable phase-matchable second-harmonic generation realized by strong polarities of [PbSe3] and [GaSe4] functional motifs in PbGa4Se718Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold39From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl2ACd 4 Ga 5 Te 12 (A = K, Rb, Cs): Tellurides with a Strong Nonlinear Optical Response and Purple Emission24Mixed Anionic Tetrahedra Guided Design of New Infrared Nonlinear Optical Material Cs 3 Ga 8 S 13 Cl with High Laser‐Induced Damage Threshold26NaMn3Ga3S8: Noncentrosymmetric inorganic metal chalcogenide with nonlinear optical response, antiferromagnetic, and photoluminescence performances13A ll HgM IV S 4 (A ll = Sr, Ba, M IV = Si, Ge): A Series of Materials with Large Second Harmonic Generation Response and Wide Band Gaps27“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80Pb 3.5 GeS 4 Br 3 : the first phase-matching thiogermanate halide infrared nonlinear optical material12Pb 6 Ba 3 Si 2 S 8 I 10 : a new thiohalide with a quasi-two-dimensional structure and wide band gap2Rare-earth oxychalcogenide Eu 2 ZnGe 2 OS 6 : a phase-matching infrared nonlinear optical material with [GeOS 3 ] units7RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation23Wide band gap selenide infrared nonlinear optical materials A II Mg 6 Ga 6 Se 16 with strong SHG responses and high laser-induced damage thresholds31AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2): A Series of Ionic Cocrystals as Promising UV Birefringent Materials with Large Birefringence and Wide Band Gap20Rational Design of Novel Promising Infrared Nonlinear Optical Materials: Structural Chemistry and Balanced Performances156The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)13Pb2TeV2O10: A Lead Vanadate Tellurate with Wide Mid-IR Transparency and Large Birefringence Induced by Multiple Birefringence-Active Groups11A wide band gap selenohalide Cs 9 Si 8 Se 20 Cl with unprecedented [CsSe 7 Cl] mixed anionic units2Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units18Non-centrosymmetric structures designed rationally via a “dimensionality addition” strategy toward the promising nonlinear optical family [A–X][In–Se] (A = K/Ba and Rb/Ba; X = Cl and Br)13From Centrosymmetric Eu 2 Ga 2 S 5 to Noncentrosymmetric EuMg 6 Ga 6 S 16 via Introduction of Distorted MgS 6 Octahedron: Featuring Wide Bandgap and Nonlinear Optical Activity3Synergistic Enhancement of Band Gap and Optical Anisotropy via Functional-Site Cosubstitution in Antiperovskite-Type Chalcohalides [Ba2K][X][MS4] (M = Ge, Si; X = Cl, Br)2SrZnGeSe4: An Infrared Nonlinear Optical Crystal Material with Wide Transmission Range and Large SHG Response6Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps5A high-performance IR nonlinear optical material Sr 3 MnGe 2 S 8 achieved via partial cation substitution-induced structural transformation2Significantly enhanced infrared second harmonic generation in 1T-phase Janus PdXY (X, Y = S, Se, Te) monolayers1Cation-substitution-driven electronic, nonlinear optical, elastic, and thermal transport properties of layered AeHgGeSe4 (Ae = Ba, Sr): A first-principles study0

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  1. Pb 3 SBrI 3 : the first Pb-based chalcohalide with multiple halogens features a unique two-dimensional structure composed of diverse Pb-centered polyhedra

    Dalton Transactions · 2022-01-01

    Mei Yan, Ru‐Ling Tang, Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  2. Tailored Ordered Structures with Functional Units of Distorted [NbO6] and Antiparallel [GeO4] for Enhanced Birefringence in Germanate Crystal

    Advanced Optical Materials · 2022-09-01

    Wenli Zhao, Jinmiao Jiao, Yuheng She, Fei Liang, Ning Ye, Zhanggui Hu, Yicheng Wu, Conggang Li

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  3. Chalcohalides: A Rising Type of Second‐Order Nonlinear Optical Materials

    European Journal of Inorganic Chemistry · 2022-10-05

    Jun Li, Shanshan Han, Sheng‐Ping Guo

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  4. The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps

    Advanced Science · 2022-12-05

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

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  5. γ-P 4 S 3 I 2 : a new metal-free infrared second-order nonlinear optical crystal designed by polymorphism strategy

    Inorganic Chemistry Frontiers · 2022-12-19

    Xin Lei Zhao, Chensheng Lin, Shunda Yang, Haotian Tian, Chao Wang, Tao Yan, Jian Zhang, Bingxuan Li, Ning Ye, Min Luo

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  6. Ba 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Linan Wang, Hongshan Wang, Ling Luo, Junjie Li, Feng Yu

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  7. MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Xin Su, Ling Luo, Junjie Li, Feng Yu

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  8. Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization

    Coordination Chemistry Reviews · 2023-02-08

    Mao‐Yin Ran, A-Yang Wang, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  9. Rational Design of a Rare‐Earth Oxychalcogenide Nd3[Ga3O3S3][Ge2O7] with Superior Infrared Nonlinear Optical Performance

    Small · 2023-02-12

    Mao‐Yin Ran, Shenghua Zhou, Wenbo Wei, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  10. [K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

    Advanced Science · 2023-02-27

    Wen‐Fa Chen, Bin‐Wen Liu, Shao‐Min Pei, Xiao‐Ming Jiang, Guo‐Cong Guo

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  11. Remarkable phase-matchable second-harmonic generation realized by strong polarities of [PbSe3] and [GaSe4] functional motifs in PbGa4Se7

    Science China Materials · 2023-04-13

    Zhe-Xiong Zheng, Zhi-Xin Qiu, Chao-Hong Xie, Yangping Zhang, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  12. Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold

    Advanced Optical Materials · 2023-05-17

    Jiazheng Zhou, Linan Wang, Yu Chu, Hongshan Wang, Shilie Pan, Junjie Li

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  13. From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength

    Chemistry of Materials · 2023-07-06

    Wenqi Jin, Congwei Xie, Xueling Hou, Meng Cheng, Evgenii Tikhonov, Mengfan Wu, Shilie Pan, Zhihua Yang

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  14. Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl

    Crystal Growth & Design · 2023-07-20

    Xianghe Meng, Jinlong Shi, Mengran Sun, Jiyong Yao

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  15. ACd 4 Ga 5 Te 12 (A = K, Rb, Cs): Tellurides with a Strong Nonlinear Optical Response and Purple Emission

    Chemistry of Materials · 2023-08-29

    Mengran Sun, Wenhao Xing, Shyong K. Chen, Chunxiao Li, Wenhao Liu, Ming‐Hsien Lee, Jiyong Yao

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  16. Mixed Anionic Tetrahedra Guided Design of New Infrared Nonlinear Optical Material Cs 3 Ga 8 S 13 Cl with High Laser‐Induced Damage Threshold

    Advanced Optical Materials · 2023-09-10

    Linan Wang, Chenchen Tu, Jiazheng Zhou, Yu Chu, Zhihua Yang, Shilie Pan, Junjie Li

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  17. NaMn3Ga3S8: Noncentrosymmetric inorganic metal chalcogenide with nonlinear optical response, antiferromagnetic, and photoluminescence performances

    Materials Today Chemistry · 2023-09-20

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

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  18. A ll HgM IV S 4 (A ll = Sr, Ba, M IV = Si, Ge): A Series of Materials with Large Second Harmonic Generation Response and Wide Band Gaps

    Advanced Optical Materials · 2023-09-28

    Xingyu Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  19. “Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect

    Advanced Functional Materials · 2023-12-28

    Yu Chu, Hongshan Wang, Quan Chen, Xin Su, Zuxin Chen, Zhihua Yang, Junjie Li, Shilie Pan

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  20. Pb 3.5 GeS 4 Br 3 : the first phase-matching thiogermanate halide infrared nonlinear optical material

    Inorganic Chemistry Frontiers · 2024-01-01

    Jiazheng Zhou, Hongshan Wang, Junjie Liu, Xin Su, Yu Chu, Jiale Qu, Xiangzhan Jiang

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  21. Pb 6 Ba 3 Si 2 S 8 I 10 : a new thiohalide with a quasi-two-dimensional structure and wide band gap

    Dalton Transactions · 2024-01-01

    Zhao Wang, Jiazheng Zhou, Linan Wang, Wenqi Jin, Yingying Kong, Yu Chu, Junjie Li

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  22. Rare-earth oxychalcogenide Eu 2 ZnGe 2 OS 6 : a phase-matching infrared nonlinear optical material with [GeOS 3 ] units

    CrystEngComm · 2024-01-01

    G F Wang, Wentian Wu, Chunxiao Li, Jiyong Yao

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  23. RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation

    Inorganic Chemistry Frontiers · 2024-01-01

    A-Yang Wang, Sheng-Hua Zhou, Mao‐Yin Ran, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  24. Wide band gap selenide infrared nonlinear optical materials A II Mg 6 Ga 6 Se 16 with strong SHG responses and high laser-induced damage thresholds

    Chemical Science · 2024-01-01

    Linan Wang, Dongdong Chu, Zhihua Yang, Junjie Li, Shilie Pan

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  25. AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2): A Series of Ionic Cocrystals as Promising UV Birefringent Materials with Large Birefringence and Wide Band Gap

    Inorganic Chemistry · 2024-01-18

    Mengmeng Zhu, Junbo Wang, Lei Hou, Yiwen Yuan, Lili Liu, Yaoqing Chu, Chunmei Huang

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  26. Rational Design of Novel Promising Infrared Nonlinear Optical Materials: Structural Chemistry and Balanced Performances

    Accounts of Chemical Research · 2024-02-01

    Wenfeng Zhou, Sheng‐Ping Guo

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  27. The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)

    Science China Chemistry · 2024-07-10

    Yangping Zhang, Shao‐Min Pei, Wen‐Fa Chen, Bin‐Wen Liu, Xiao‐Ming Jiang, Guo‐Cong Guo

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  28. Pb2TeV2O10: A Lead Vanadate Tellurate with Wide Mid-IR Transparency and Large Birefringence Induced by Multiple Birefringence-Active Groups

    Inorganic Chemistry · 2024-10-11

    Yanyan Ding, Mengmeng Zhu, Junbo Wang, Bo Li, Hai-Xin Qi, Lili Liu, Yaoqing Chu

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  29. A wide band gap selenohalide Cs 9 Si 8 Se 20 Cl with unprecedented [CsSe 7 Cl] mixed anionic units

    Dalton Transactions · 2025-01-01

    Guansong Zheng, Wang Zhao, Xiaoyu Wu, Hongshan Wang, Yi Du, Juanjuan Lu, Xiaodong Zhou, Junjie Li

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  30. Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units

    Chemical Science · 2025-01-01

    Bo Zhang, Sheng-Hua Zhou, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  31. Non-centrosymmetric structures designed rationally via a “dimensionality addition” strategy toward the promising nonlinear optical family [A–X][In–Se] (A = K/Ba and Rb/Ba; X = Cl and Br)

    Materials Horizons · 2025-01-01

    Shao‐Min Pei, Fan Wu, Ming‐Shu Zhang, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  32. From Centrosymmetric Eu 2 Ga 2 S 5 to Noncentrosymmetric EuMg 6 Ga 6 S 16 via Introduction of Distorted MgS 6 Octahedron: Featuring Wide Bandgap and Nonlinear Optical Activity

    Inorganic Chemistry · 2025-08-21

    Qiu-Yang Du, Wen‐Dong Yao, Xu-Bin Ni, Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  33. 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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  34. SrZnGeSe4: An Infrared Nonlinear Optical Crystal Material with Wide Transmission Range and Large SHG Response

    Inorganic Chemistry · 2025-09-29

    Xia Wu, Mengjie Ma, Huilin Yin, Shuchang Wu, Hang Zhang, Kuixian Cai, Xiao‐Ming Jiang, Dajiang Mei

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  35. Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps

    Inorganic Chemistry Frontiers · 2025-11-05

    Zhen-Cheng Wu, Fang-Xu Tian, Rui Xiao, Mao-Yin Ran, Wenlong Liu, Wen-Tong Chen, Sheng-Ping Guo

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  36. A high-performance IR nonlinear optical material Sr 3 MnGe 2 S 8 achieved via partial cation substitution-induced structural transformation

    Inorganic Chemistry Frontiers · 2025-11-14

    A-Lan Xu, Mao‐Yin Ran, Zuju Ma, Xin-Tao Wu, Hua Lin, Qi‐Long Zhu

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  37. Significantly enhanced infrared second harmonic generation in 1T-phase Janus PdXY (X, Y = S, Se, Te) monolayers

    Applied Physics Letters · 2026-02-02

    Xiaozhendong Bao, Shi-Qi Li, Qianyu Chen, Junlong Tan, ZhiJie Lei, Yuee Xie, Yuanping Chen

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  38. Cation-substitution-driven electronic, nonlinear optical, elastic, and thermal transport properties of layered AeHgGeSe4 (Ae = Ba, Sr): A first-principles study

    Computational Condensed Matter · 2026-08-12

    Saravana Karthikeyan SKS, Shaik Gouse Peera, Chang Yi Kong

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