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RESEARCH PAPER · Advanced Science · 2023

[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

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

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[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 eVOriginal[Ba 4 X][In 19 S 32 ] (X = Cl, Br): two quaternary metal chalcohalides exhibiting remarkable photocurrent responses1A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response34Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a “pore reconstruction” strategy in a salt-inclusion chalcogenide26MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra2Nitrides: a promising class of nonlinear optical material candidates9Cs4Zn5P6S18I2: the Largest Birefringence in Chalcohalide Achieved by Highly Polarizable Nonlinear Optical Functional Motifs21Mixed Anionic Tetrahedra Guided Design of New Infrared Nonlinear Optical Material Cs 3 Ga 8 S 13 Cl with High Laser‐Induced Damage Threshold26Excellent Nonlinear Optical M[M4Cl][Ga11S20] (M = A/Ba, A = K, Rb) Achieved by Unusual Cationic Substitution Strategy20Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation29Ln 2 F 2 (OH 2 )(MoO 3 ) 2 (SeO 3 ) 2 : Promising Multifunctional Nonlinear Optical Materials Created by Partial Fluorination Strategy under Corrosion Resistant Supercritical Reactions25A I B 3 II C 2 III Q 6 VI X VII : A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS 3 ] and Polycations25Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65Pb 6 Ba 3 Si 2 S 8 I 10 : a new thiohalide with a quasi-two-dimensional structure and wide band gap2RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation23Synergistic combination of different types of functional motif in Rb(NO 3 )(SO 3 NH 3 ) for realizing excellent ultraviolet optical nonlinearity18Wide band gap selenide infrared nonlinear optical materials A II Mg 6 Ga 6 Se 16 with strong SHG responses and high laser-induced damage thresholds31Molecular Crystals Constructed by Polar Molecular Cages: A Promising System for Exploring High‐performance Infrared Nonlinear Optical Crystals6Molecular Crystals Constructed by Polar Molecular Cages: A Promising System for Exploring High‐performance Infrared Nonlinear Optical Crystals34[Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response21Phase Matching of Infrared Nonlinear Optical Salt-Inclusion Chalcogenides Achieved by the Modulation of the Fractal Dimension of Anionic Motifs18[Rb3BaCl][In8Se14]: Compressed chalcopyrite-type selenide achieved by polycationic substitution strategy toward excellent nonlinear optical property18EuSi7P10: An Inorganic Supramolecular Nonlinear Optical Crystal Exhibiting Strong Second-Harmonic Generation Response4Wide-Gap p-Type Layered Oxychalcogenides AE2CuInO3Ch (AE: Alkaline Earth; Ch: Chalcogen): Unusually Low Residual Carrier Concentration and Green-to-Red Emission7Realizing Excellent Infrared Nonlinear Optical Performance in Eu-Based Chalcogenides via Rational Cross Substitution Strategy264D printable and recyclable two-way shape memory butadiene rubber as ultrasensitive, longer-lasting, and lower-cost fire warning sensors11Achieving strong optical nonlinearity and wide bandgap of pnictides via ionic motif–driven directed assembly of covalent groups39Enhanced second-harmonic generation response in a chiral lead iodide induced by amino acid coordination8Exploring 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)13AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties16Assembly 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]14(CH5N3S)2Pb5Br10 and (CH5N3S)Pb2Br4: Two Nonlinear Optical Lead Thiosemicarbazide Bromides with Diverse Pb-Centered Building Units10[K2PbI][Ga7Se12]: A New Lead-Containing Nonlinear Optical Material with Moderate Second-Harmonic Generation Response and Large Birefringence5Achieving excellent nonlinear optical performance via “dimensionality elevation”-driven transformation from centrosymmetric to non-centrosymmetric structures1Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps5Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12[Rb 4 Cl][Cd 11 In 9 Se 26 ]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics0Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution0Anion-Centered Engineering for Simultaneously Enhancing Birefringence and Band Gap in Chalcogenides1KHg 4 Ga 5 S 12 : A Diamond-like Tetrahedral Chalcogenide Exhibiting Giant Phase-Matching Second Harmonic Generation6Breaking Layered Limitations via Electrostatic-to-Covalent Conversion toward Three-Dimensional T2-Cluster-Based Chalcogenides7Salt-Inclusion Rare-Earth Chalcogenides: Exploring Infrared Nonlinear Optical Crystals via a Guest-Framework Modulation Strategy0Achieving Excellent Nonlinear Optics in α ‑Ba 2 Ge 4 S 10 via Flux‑Induced Symmetry Breaking1First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80

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  1. [Ba 4 X][In 19 S 32 ] (X = Cl, Br): two quaternary metal chalcohalides exhibiting remarkable photocurrent responses

    Dalton Transactions · 2023-01-01

    Chunlan Tang, Wenhao Xing, Fei Liang, Jian Tang, Jieyun Wu, Wenlong Yin, Bin Kang

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  2. A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response

    Inorganic Chemistry Frontiers · 2023-01-01

    Hongshan Wang, Xueting Pan, Wang Zhao, Yu Chu, Junjie Li

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  3. 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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  4. 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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  5. Nitrides: a promising class of nonlinear optical material candidates

    Materials Chemistry Frontiers · 2023-01-01

    Xin Lei Zhao, Chensheng Lin, Haotian Tian, Chao Wang, Ning Ye, Min Luo

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  6. Cs4Zn5P6S18I2: the Largest Birefringence in Chalcohalide Achieved by Highly Polarizable Nonlinear Optical Functional Motifs

    Small · 2023-07-18

    Xian‐Dan Chai, Mingze Li, Shujuan Lin, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  7. 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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  8. Excellent Nonlinear Optical M[M4Cl][Ga11S20] (M = A/Ba, A = K, Rb) Achieved by Unusual Cationic Substitution Strategy

    Small · 2023-09-11

    Xiao‐Yu Lou, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  9. Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation

    Materials Today Physics · 2023-09-29

    Hongshan Wang, Yu Chu, Xueting Pan, Zhihua Yang, Shilie Pan, Junjie Li

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  10. Ln 2 F 2 (OH 2 )(MoO 3 ) 2 (SeO 3 ) 2 : Promising Multifunctional Nonlinear Optical Materials Created by Partial Fluorination Strategy under Corrosion Resistant Supercritical Reactions

    Advanced Science · 2023-10-23

    Yun‐Xiang Ma, Pengfei Li, Chun‐Li Hu, Jiang‐Gao Mao, Fang Kong

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  11. A I B 3 II C 2 III Q 6 VI X VII : A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS 3 ] and Polycations

    Small · 2023-11-27

    Jiazheng Zhou, Ketian Hou, Yu Chu, Zhihua Yang, Junjie Li, Shilie Pan

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  12. 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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  13. 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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  14. 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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  15. Synergistic combination of different types of functional motif in Rb(NO 3 )(SO 3 NH 3 ) for realizing excellent ultraviolet optical nonlinearity

    Inorganic Chemistry Frontiers · 2024-01-01

    Yunxia Song, Chensheng Lin, Xin Yi Zhao, Tao Yan, Ning Ye, Haotian Tian, Min Luo

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  16. 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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  17. Molecular Crystals Constructed by Polar Molecular Cages: A Promising System for Exploring High‐performance Infrared Nonlinear Optical Crystals

    Angewandte Chemie · 2024-01-25

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

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  18. Molecular Crystals Constructed by Polar Molecular Cages: A Promising System for Exploring High‐performance Infrared Nonlinear Optical Crystals

    Angewandte Chemie International Edition · 2024-01-25

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

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  19. [Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response

    Chemistry of Materials · 2024-03-27

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

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  20. Phase Matching of Infrared Nonlinear Optical Salt-Inclusion Chalcogenides Achieved by the Modulation of the Fractal Dimension of Anionic Motifs

    Chemistry of Materials · 2024-04-24

    Yan Guo, Wen‐Fa Chen, Mingxin Li, Fan Wu, Qiu-Pei Qin, Bin‐Wen Liu, Xiao‐Ming Jiang, Guo‐Cong Guo

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  21. [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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  22. 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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  23. Wide-Gap p-Type Layered Oxychalcogenides AE2CuInO3Ch (AE: Alkaline Earth; Ch: Chalcogen): Unusually Low Residual Carrier Concentration and Green-to-Red Emission

    Chemistry of Materials · 2024-06-04

    Xinyi He, Tatsuya Cho, Takayoshi Katase, Kota Hanzawa, Suguru Kitani, Hidenori Hiramatsu, Hideo Hosono, Toshio Kamiya

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  24. Realizing Excellent Infrared Nonlinear Optical Performance in Eu-Based Chalcogenides via Rational Cross Substitution Strategy

    ACS Applied Materials & Interfaces · 2024-09-23

    Ping Feng, Sheng-Hua Zhou, Bingxuan Li, Jia-Xiang Zhang, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  25. 4D printable and recyclable two-way shape memory butadiene rubber as ultrasensitive, longer-lasting, and lower-cost fire warning sensors

    Chemical Engineering Journal · 2024-11-01

    Xiaowei Mu, Guoqiang Li

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  26. Achieving strong optical nonlinearity and wide bandgap of pnictides via ionic motif–driven directed assembly of covalent groups

    Science Advances · 2024-11-13

    Lihua Gao, Jindong Chen, Xuemei Shi, Yan Xiao, Yinglei Han, Chensheng Lin, Huikang Jiang, Guangsai Yang, Guang Peng, Ning Ye

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  27. Enhanced second-harmonic generation response in a chiral lead iodide induced by amino acid coordination

    Chemical Communications · 2025-01-01

    Juan Cheng, Gangji Yi, Qinglan Zhong, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin

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  28. 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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  29. 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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  30. AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties

    Science China Materials · 2025-01-22

    Mengmeng Chen, Xu Liu, Abudukadi Tudi, Cui Chen, Qixian Ren, Zhihua Yang, Yabo Wu, Shilie Pan

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  31. 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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  32. 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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  33. (CH5N3S)2Pb5Br10 and (CH5N3S)Pb2Br4: Two Nonlinear Optical Lead Thiosemicarbazide Bromides with Diverse Pb-Centered Building Units

    Inorganic Chemistry · 2025-05-20

    Ru‐Ling Tang, Yue‐Qi Wei, Yi‐Lei Lv, Bing-Wei Miao, Cheng Chen, Wenlong Liu

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  34. [K2PbI][Ga7Se12]: A New Lead-Containing Nonlinear Optical Material with Moderate Second-Harmonic Generation Response and Large Birefringence

    Crystal Growth & Design · 2025-05-22

    Jinlong Shi, Chunxiao Li, Pifu Gong, Jiyong Yao

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  35. 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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  36. 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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  37. Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons

    Chemical Science · 2025-11-17

    Jia-Xiang Zhang, A-Lan Xu, Yang Chi, Xin-Tao Wu, Hua Lin, Qi‐Long Zhu

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  38. [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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  39. Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution

    Dalton Transactions · 2026-01-01

    B Yang, Ziqi Chen, Zhenjiang Lu, Juanjuan Lu

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  40. Anion-Centered Engineering for Simultaneously Enhancing Birefringence and Band Gap in Chalcogenides

    Chemistry of Materials · 2026-01-19

    Chao-Hong Xie, Lu Liu, Xiao‐Ming Jiang, Bin-Wen Liu, Guo‐Cong Guo

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  41. 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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  42. Breaking Layered Limitations via Electrostatic-to-Covalent Conversion toward Three-Dimensional T2-Cluster-Based Chalcogenides

    Journal of the American Chemical Society · 2026-06-08

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  43. Salt-Inclusion Rare-Earth Chalcogenides: Exploring Infrared Nonlinear Optical Crystals via a Guest-Framework Modulation Strategy

    Inorganic Chemistry · 2026-06-15

    Wen‐Dong Yao, Qiu-Yang Du, Xu‐Bin Ni, Yi-Fan Fu, Zhi-Wei Jiang, Wenfeng Zhou, Sheng‐Ping Guo

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

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

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  45. First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 8

    Advanced Physics Research · 2026-07-23

    Saravana Karthikeyan SKS, Sankar Ganesh Ramaraj, Ryo Watanabe, Choji Fukuhara, Chang Yi Kong

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