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RESEARCH PAPER · Inorganic Chemistry Frontiers · 2022

Achieving a strong second harmonic generation response and a wide band gap in a Hg-based material

Yu-Jie Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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Achieving a strong second harmonic generation response and a wide band gap in a Hg-based materialOriginal[ASr 4 Cl][Ge 3 S 10 ] (A = Na, K) and [KBa 4 Cl][Ge 3 S 10 ]: new salt-inclusion infrared nonlinear optical crystals with zero-dimensional [Ge 3 S 9 ] clusters32First polar quaternary sulphide CsLiGa 6 S 10 with mixed ordered alkali cations displaying excellent infrared nonlinear optical properties16Syntheses, structures, and characterization of new heteroanionic chalcohalides: Na2Ba17In8Q21F18 (Q = S, Se), KBa2InQ3F2 (Q = S, Se)5Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a “pore reconstruction” strategy in a salt-inclusion chalcogenide26Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response22Open honeycomb frameworks of sulphides AHg 4 Ga 5 S 12 (A = Rb, Cs) exhibiting infrared nonlinear optical properties12Salt-inclusion chalcogenides: Double functional moieties design strategy toward excellent nonlinear optical materials12Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133[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 eV46Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold39Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application49ZnGa 2 S 4 : an infrared nonlinear optical material with large second‐harmonic generation response and wide band gap28AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence9Synthesis, crystal structure and optical properties of the first Hg-based polyselenide Ba2HgSe51Regulating the key performance parameters for Hg-based IR NLO chalcogenides via bandgap engineering strategy26Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80Hg 3 AsS 4 X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances33Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials6Pb 3.5 GeS 4 Br 3 : the first phase-matching thiogermanate halide infrared nonlinear optical material12Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence10β -CsHg 2 I 5 , a compound with rare [Hg 2 I 5 ] dimers and large optical anisotropy2Ba10In2Mn11Si3O12S18: First Hexanary Oxychalcogenide Containing an Infrequent Three-Dimensional Noncentrosysmmetric Framework8The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution28[Rb3BaCl][In8Se14]: Compressed chalcopyrite-type selenide achieved by polycationic substitution strategy toward excellent nonlinear optical property18Sr2HgGe2OS6: A Hg-Based Oxychalcogenide Infrared Nonlinear Optical Material Exhibiting Favorable Balance between a Large Band Gap and Strong Second Harmonic Generation Response10EuSi7P10: An Inorganic Supramolecular Nonlinear Optical Crystal Exhibiting Strong Second-Harmonic Generation Response4[Cs14Cl][Tm71Se110]: An unusual salt-inclusion chalcogenide containing different valent Tm centers and ultralow thermal conductivity10Assembly between diverse polycations and diamond-like anionic frameworks in salt-inclusion phosphides enables excellent nonlinear optical properties4Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58]14Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties3Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties26Achieving excellent nonlinear optical performance via “dimensionality elevation”-driven transformation from centrosymmetric to non-centrosymmetric structures1Layered Ternary Indium Chalcogenides Ba5In2S8 and β-BaIn2Se4: Structural Diversity and Large Birefringence in β-BaIn2Se42NaAg3Ga8S14: A new diamond-like framework infrared nonlinear optical material derived from AgGaS26BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6[Rb 4 Cl][Cd 11 In 9 Se 26 ]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics0KHg 4 Ga 5 S 12 : A Diamond-like Tetrahedral Chalcogenide Exhibiting Giant Phase-Matching Second Harmonic Generation6K 3 Mg 2 [K 6 MgCl 3 ][Ga 20 S 36 ]: A Diamond-like Framework Based on Mixed-Type Supertetrahedra for Excellent Nonlinear Optical Property1Achieving Excellent Nonlinear Optics in α ‑Ba 2 Ge 4 S 10 via Flux‑Induced Symmetry Breaking1Cation-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. [ASr 4 Cl][Ge 3 S 10 ] (A = Na, K) and [KBa 4 Cl][Ge 3 S 10 ]: new salt-inclusion infrared nonlinear optical crystals with zero-dimensional [Ge 3 S 9 ] clusters

    Inorganic Chemistry Frontiers · 2022-01-01

    Yu‐Fei Song, Shaoxin Cui, Zhen Qian, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

    Read original paper ↗ ·

  2. First polar quaternary sulphide CsLiGa 6 S 10 with mixed ordered alkali cations displaying excellent infrared nonlinear optical properties

    Inorganic Chemistry Frontiers · 2022-01-01

    Zi Wang, Bin‐Wen Liu, Guo‐Cong Guo

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  3. Syntheses, structures, and characterization of new heteroanionic chalcohalides: Na2Ba17In8Q21F18 (Q = S, Se), KBa2InQ3F2 (Q = S, Se)

    Journal of Alloys and Compounds · 2022-11-22

    Dong Gao, Xiao Ji, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  4. Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a “pore reconstruction” strategy in a salt-inclusion chalcogenide

    Materials Horizons · 2023-01-01

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

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  5. Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response

    Inorganic Chemistry Frontiers · 2023-01-01

    Chenyao Zhao, Bingbing Zhang, Xinyu Tian, Guoqiang Zhou, Jingjing Xu, Kui Wu

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  6. Open honeycomb frameworks of sulphides AHg 4 Ga 5 S 12 (A = Rb, Cs) exhibiting infrared nonlinear optical properties

    Dalton Transactions · 2023-01-01

    Xiao-Yu Lou, Yu Zhou, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  7. Salt-inclusion chalcogenides: Double functional moieties design strategy toward excellent nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-02-07

    Chao-Hong Xie, Bin‐Wen Liu, Guo‐Cong Guo

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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. [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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  10. 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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  11. Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application

    Small · 2023-10-02

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

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  12. ZnGa 2 S 4 : an infrared nonlinear optical material with large second‐harmonic generation response and wide band gap

    Rare Metals · 2023-11-05

    Chenyang Zhang, Xiao-Nan Niu, Yanfeng Wei, Shuxing Zhou, Daqing Yang, Ying Wang, Jian Wang, Bingbing Zhang

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  13. AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence

    Solid State Sciences · 2023-11-28

    Dong Gao, Fuqiang Chen, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu, P. Shiv Halasyamani

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  14. Synthesis, crystal structure and optical properties of the first Hg-based polyselenide Ba2HgSe5

    Journal of Solid State Chemistry · 2023-12-02

    Jinlong Shi, Mengran Sun, Chunxiao Li, Jiyong Yao

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  15. Regulating the key performance parameters for Hg-based IR NLO chalcogenides via bandgap engineering strategy

    Chinese Chemical Letters · 2023-12-12

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

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  16. Ga-based IR nonlinear optical materials: Synthesis, structures, and properties

    Coordination Chemistry Reviews · 2023-12-21

    Jiaxiang Zhang, Ping Feng, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  17. “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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  18. Hg 3 AsS 4 X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances

    Inorganic Chemistry Frontiers · 2024-01-01

    Feng Xu, Xiang Xu, Bingxuan Li, Ge Zhang, Chan Zheng, Jindong Chen, Ning Ye

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  19. Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials

    Inorganic Chemistry Frontiers · 2024-01-01

    Ya‐Xiang Han, Chun‐Li Hu, Wen‐Tong Chen, Jiang‐Gao Mao

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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. Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence

    Chemical Science · 2024-01-01

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

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  22. β -CsHg 2 I 5 , a compound with rare [Hg 2 I 5 ] dimers and large optical anisotropy

    Dalton Transactions · 2024-01-01

    Yingying Kong, Hongshan Wang, Wang Zhao, Qi Sun, Junjie Li, Shilie Pan

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  23. Ba10In2Mn11Si3O12S18: First Hexanary Oxychalcogenide Containing an Infrequent Three-Dimensional Noncentrosysmmetric Framework

    Inorganic Chemistry · 2024-02-23

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

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  24. The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution

    Materials Today Physics · 2024-04-17

    Mao‐Yin Ran, Shenghua Zhou, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  25. [Rb3BaCl][In8Se14]: Compressed chalcopyrite-type selenide achieved by polycationic substitution strategy toward excellent nonlinear optical property

    Science China Materials · 2024-05-16

    Fan Wu, Wen‐Fa Chen, Zixuan Wu, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  26. Sr2HgGe2OS6: A Hg-Based Oxychalcogenide Infrared Nonlinear Optical Material Exhibiting Favorable Balance between a Large Band Gap and Strong Second Harmonic Generation Response

    Inorganic Chemistry · 2024-05-23

    Guili Wang, Chunxiao Li, Ming‐Hsien Lee, Jiyong Yao

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  27. EuSi7P10: An Inorganic Supramolecular Nonlinear Optical Crystal Exhibiting Strong Second-Harmonic Generation Response

    Inorganic Chemistry · 2024-05-30

    Yunxia Song, Chensheng Lin, Chao Wang, Yuqiao Zhou, Shenghao Fang, Pengxiang Dong, Bingxuan Li, Ning Ye, Xin Lei Zhao, Min Luo

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  28. [Cs14Cl][Tm71Se110]: An unusual salt-inclusion chalcogenide containing different valent Tm centers and ultralow thermal conductivity

    Chinese Journal of Structural Chemistry · 2024-07-27

    Hong Chen, Mao‐Yin Ran, Long-Hua Li, Xin‐Tao Wu, Hua Lin

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  29. Assembly between diverse polycations and diamond-like anionic frameworks in salt-inclusion phosphides enables excellent nonlinear optical properties

    Science China Chemistry · 2025-02-11

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

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  30. Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58]

    ACS Materials Letters · 2025-03-21

    Jia-Xiang Zhang, Mao‐Yin Ran, A-Yang Wang, Zuju Ma, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  31. Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties

    Angewandte Chemie · 2025-04-28

    Jia-Xiang Zhang, Sheng‐Hua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  32. Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties

    Angewandte Chemie International Edition · 2025-04-28

    Jia-Xiang Zhang, Sheng‐Hua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  33. Achieving excellent nonlinear optical performance via “dimensionality elevation”-driven transformation from centrosymmetric to non-centrosymmetric structures

    Science China Chemistry · 2025-06-28

    Lin‐Tao Jiang, Jun-Long Chen, Ming‐Shu Zhang, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  34. Layered Ternary Indium Chalcogenides Ba5In2S8 and β-BaIn2Se4: Structural Diversity and Large Birefringence in β-BaIn2Se4

    Crystal Growth & Design · 2025-08-21

    Jinlong Shi, Pifu Gong, Jiyong Yao

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  35. NaAg3Ga8S14: A new diamond-like framework infrared nonlinear optical material derived from AgGaS2

    Chinese Journal of Structural Chemistry · 2025-10-15

    Hongshan Wang, Zhenglong Li, Zhenglong Li, Ran An, Zhenyou Wang, Juanjuan Lu, Guansong Zheng, Zhihua Yang, Yu Chu, Junjie Li

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  36. 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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  37. [Rb 4 Cl][Cd 11 In 9 Se 26 ]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics

    Dalton Transactions · 2026-01-01

    Pengzhi Xie, Qixian Ren, Junwei Feng, Hong Lei Du, Shuyi Mi

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  38. KHg 4 Ga 5 S 12 : A Diamond-like Tetrahedral Chalcogenide Exhibiting Giant Phase-Matching Second Harmonic Generation

    Chemistry of Materials · 2026-02-03

    Weiping Guo, Chao Yang, Bingxuan Li, Hong‐Hua Cui, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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  39. K 3 Mg 2 [K 6 MgCl 3 ][Ga 20 S 36 ]: A Diamond-like Framework Based on Mixed-Type Supertetrahedra for Excellent Nonlinear Optical Property

    Chemistry of Materials · 2026-04-22

    Jun-Long Chen, Shao‐Min Pei, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo-Cong Guo

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  40. Achieving Excellent Nonlinear Optics in α ‑Ba 2 Ge 4 S 10 via Flux‑Induced Symmetry Breaking

    Small · 2026-06-24

    Ying Guo, Guo‐Qiang Wang, Yan Guo, Xiao‐Ming Jiang, B C Liu, Guo‐Cong Guo

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  41. 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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