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RESEARCH PAPER · Angewandte Chemie International Edition · 2023

Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction

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Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency ReductionOriginal[(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect60Large optical anisotropy in noncentrosymmetric phosphate with pseudo 2D intercalated layer16Unearthing Superior Inorganic UV Second‐Order Nonlinear Optical Materials: A Mineral‐Inspired Method Integrating First‐Principles High‐Throughput Screening and Crystal Engineering124Unearthing Superior Inorganic UV Second‐Order Nonlinear Optical Materials: A Mineral‐Inspired Method Integrating First‐Principles High‐Throughput Screening and Crystal Engineering4Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides21From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials9From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials50An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution33An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution1Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics26Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics7A3Sc(SO4)3 (A = K, Rb, Cs): Three Deep‐Ultraviolet Transparent Alkali‐Scandium Sulfates with Strong Second‐Harmonic Generation Response and High Thermal Stability14SbO(OH)2(IO3): The First Polar Sb5+‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap8K6NaCaRe2(B5O10)3 (Re = Y, Lu): Two NLO Compounds Exhibiting a Short Absorption Edge in the A7–xA’xAeRe2(B5O10)3 (x = 0, 1) Family4Designing a novel perovskite-type KCd(NH 2 SO 3 ) 3 with deep-ultraviolet transparency and strong second-harmonic generation response2Sr2Zn(C3N3O3)2: An Alkaline Earth and d10 Transition Metal Based Ultraviolet Cyanurate with Large Birefringence6(3‐C6H10N2)ZnX4 (X = Cl and Br): Two Excellent UV Nonlinear Optical Crystals Designed by Combination of π‐conjugated and [ZnX4]2− Tetrahedral Units26Enhancement of optical anisotropy from [BF4] units by ligand substitution0Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation10Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation4Unlocking Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Polar Organic Sulfonates through Connectivity Regulation6KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy7Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances32Zn 4 S(C 2 H 2 N 3 ) 3 (NCS) 3 : Coordination-Driven Structural Distortion Engineering Triggers Exceptional NLO Effect in Mixed-Bonding Zinc Isothiocyanate6Atom-Response-Theory-Guided Design of Chiral Niobium Halides with both a Large Nonlinear Coefficient and Strong Chiroptical Nonlinearity3Magnesium Methylphosphonate Ultraviolet Nonlinear Optical Crystal With Ultrawide Bandgap and Strong Second‐Harmonic Generation Response0K 2 ZrSi 2 O 7 with a Wide Transmission Range and Enhanced Birefringence Induced by the d 0 -TM Zr-Based Units2Deep-Ultraviolet Transparent Zr/Hf Fluorides with Second-Harmonic Generation Effects Induced by Alkali-Metal Modulation2Hydrogen-Bond-Directed Assembly of Polyanionic Cluster [Mo 2 O 5 (IO 3 ) 4 ] 2– for Nonlinear Optical Crystal Design0Synergistic Effects of Lattice Stability and Frenkel Defects Designed for Anti‐Thermal Quenching X‐Ray Scintillators1Coordination-Mode-Modulated Symmetry Breaking for Nonlinear Optical Crystals0Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides0Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides0

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  1. [(C 5 H 6 N 2 ) 2 H](Sb 4 F 13 ): a polyfluoroantimonite with a strong second harmonic generation effect

    Chemical Science · 2024-01-01

    Jia-Hang Wu, Chun‐Li Hu, Yafeng Li, Jiang‐Gao Mao, Fang Kong

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  2. Large optical anisotropy in noncentrosymmetric phosphate with pseudo 2D intercalated layer

    Inorganic Chemistry Frontiers · 2024-01-01

    Qiao Xia, Xingxing Jiang, Qi Lu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Kazuyuki Tatsumi, Chi Zhang

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  3. Unearthing Superior Inorganic UV Second‐Order Nonlinear Optical Materials: A Mineral‐Inspired Method Integrating First‐Principles High‐Throughput Screening and Crystal Engineering

    Angewandte Chemie International Edition · 2024-01-23

    Xuehua Dong, Hongbo Huang, Ling Huang, Yuqiao Zhou, Bingbing Zhang, Hongmei Zeng, Zhien Lin, Guohong Zou

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  4. Unearthing Superior Inorganic UV Second‐Order Nonlinear Optical Materials: A Mineral‐Inspired Method Integrating First‐Principles High‐Throughput Screening and Crystal Engineering

    Angewandte Chemie · 2024-01-23

    Xuehua Dong, Hongbo Huang, Ling Huang, Yuqiao Zhou, Bingbing Zhang, Hongmei Zeng, Zhien Lin, Guohong Zou

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  5. Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides

    ACS Materials Letters · 2024-02-23

    Dongdong Chu, Kewang Zhang, Congwei Xie, Keith T. Butler, Zhihua Yang, Shilie Pan

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  6. From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

    Angewandte Chemie · 2024-03-13

    Yuwei Kang, Can Yang, Jie Gou, Yaolong Zhu, Qingwen Zhu, Weilin Xu, Qi Wu

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  7. From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2024-03-13

    Yuwei Kang, Can Yang, Jie Gou, Yaolong Zhu, Qingwen Zhu, Weilin Xu, Qi Wu

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  8. An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution

    Angewandte Chemie International Edition · 2024-04-25

    Shuai Liu, Xingxing Jiang, Qi Lu, Yilei Hu, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  9. An Unprecedented [BO2]‐Based Deep‐Ultraviolet Transparent Nonlinear Optical Crystal by Superhalogen Substitution

    Angewandte Chemie · 2024-04-25

    Shuai Liu, Xingxing Jiang, Qi Lu, Yilei Hu, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  10. Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics

    Angewandte Chemie International Edition · 2024-05-15

    Chen Sun, Yukong Li, Jinlin Yin, Dongyang Li, Chao Wu, Chi Zhang, Honghan Fei

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  11. Highly Stable MOF‐Type Lead Halide Luminescent Ferroelectrics

    Angewandte Chemie · 2024-05-15

    Chen Sun, Yukong Li, Jinlin Yin, Dongyang Li, Chao Wu, Chi Zhang, Honghan Fei

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  12. A3Sc(SO4)3 (A = K, Rb, Cs): Three Deep‐Ultraviolet Transparent Alkali‐Scandium Sulfates with Strong Second‐Harmonic Generation Response and High Thermal Stability

    Advanced Optical Materials · 2024-07-16

    Zilong Geng, Ruibiao Fu, Zuju Ma, Xintao Wu

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  13. SbO(OH)2(IO3): The First Polar Sb5+‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap

    Small · 2024-10-27

    Mengya Ji, Yilin Li, Chun‐Li Hu, Jin Chen, Bingxuan Li, Jiang‐Gao Mao

    Read original paper ↗ ·
  14. K6NaCaRe2(B5O10)3 (Re = Y, Lu): Two NLO Compounds Exhibiting a Short Absorption Edge in the A7–xA’xAeRe2(B5O10)3 (x = 0, 1) Family

    Inorganic Chemistry · 2024-12-19

    Wencong Li, Zhaowei Hu, Yanyan Ding, Yueting Zhu, Qun Jing, Lili Liu

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  15. Designing a novel perovskite-type KCd(NH 2 SO 3 ) 3 with deep-ultraviolet transparency and strong second-harmonic generation response

    Inorganic Chemistry Frontiers · 2025-01-01

    Yujie Fan, Li Sheng Zhong, Haotian Tian, Chensheng Lin, Lingli Wu, Tao Yan, Min Luo

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  16. Sr2Zn(C3N3O3)2: An Alkaline Earth and d10 Transition Metal Based Ultraviolet Cyanurate with Large Birefringence

    Inorganic Chemistry · 2025-02-03

    N.F. Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu

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  17. (3‐C6H10N2)ZnX4 (X = Cl and Br): Two Excellent UV Nonlinear Optical Crystals Designed by Combination of π‐conjugated and [ZnX4]2− Tetrahedral Units

    Small · 2025-03-27

    Chuanying Shen, Jie Liu, Defu Sun, Kang Yang, Bingbing Zhang, Kui Wu, Jiyang Wang, Duanliang Wang

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  18. Enhancement of optical anisotropy from [BF4] units by ligand substitution

    Journal of Organometallic Chemistry · 2025-06-20

    Xiaotian Zhang, Chunbo Jiang, Lu Qi, Chao Wu, Chi Zhang

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  19. Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation

    Angewandte Chemie International Edition · 2025-09-16

    Xiaotian Zhang, Xingxing Jiang, Hui Gao, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  20. Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation

    Angewandte Chemie · 2025-09-16

    Xiaotian T. Zhang, Xingxing Jiang, Hui Ming Gao, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  21. Unlocking Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Polar Organic Sulfonates through Connectivity Regulation

    Angewandte Chemie International Edition · 2025-11-10

    Feiyuan Gong, Xingxing Jiang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  22. KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy

    Small · 2025-12-15

    Lei Hou, Siyu Li, Wencong Li, Bingchen Xiao, Yaoqing Chu, Bingbing Zhang, Ying Wang, Xinglong Chen, Lili Liu

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  23. Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances

    Angewandte Chemie International Edition · 2026-01-16

    Ru‐Ling Tang, Wen‐Ye Gao, Guo-Ren Zhu, Yang Chi, Liang Ma, Wenlong Liu, Sheng‐Ping Guo

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  24. Zn 4 S(C 2 H 2 N 3 ) 3 (NCS) 3 : Coordination-Driven Structural Distortion Engineering Triggers Exceptional NLO Effect in Mixed-Bonding Zinc Isothiocyanate

    Chemistry of Materials · 2026-01-20

    Lan Wang, Shu‐Fang Li, Jingjing Zhao, Xin-Ran Hao, Ru‐Ling Tang, Chu Chu, Bingbing Zhang, Dong Yan

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  25. Atom-Response-Theory-Guided Design of Chiral Niobium Halides with both a Large Nonlinear Coefficient and Strong Chiroptical Nonlinearity

    Nano Letters · 2026-02-27

    Wenting Liu, Xin Zeng, Wenkai Zhao, Haolin Lu, Hebin Wang, X. Q. Li, Zhaoyu Wang, Tianyin Shao, Sehrish Gull, Bing Nan Sun, Hao-Li Zhang, Xinfeng Liu, Yongsheng Chen, Guankui Long

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  26. Magnesium Methylphosphonate Ultraviolet Nonlinear Optical Crystal With Ultrawide Bandgap and Strong Second‐Harmonic Generation Response

    Advanced Optical Materials · 2026-03-24

    Senfu Lei, Zuju Ma, Zilong Geng, Wenjing Yang, Yulu Wu, Xiaofan Tong, Shuangcheng Li, Ruibiao Fu, Yiting Luo

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  27. K 2 ZrSi 2 O 7 with a Wide Transmission Range and Enhanced Birefringence Induced by the d 0 -TM Zr-Based Units

    Inorganic Chemistry · 2026-05-28

    Xueqing Liu, Xinyue Shi, Yuan Fang, Yipeng Pang, Degao Zhong, Bing Teng, Y Huang, Zhoubin Lin, Shijia Sun

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  28. Deep-Ultraviolet Transparent Zr/Hf Fluorides with Second-Harmonic Generation Effects Induced by Alkali-Metal Modulation

    Inorganic Chemistry · 2026-06-26

    Ling Wang, Mei Yan, Min Li, Zheng-Yu Yang, X X Li, Wenfeng Zhou, Ru‐Ling Tang

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  29. Hydrogen-Bond-Directed Assembly of Polyanionic Cluster [Mo 2 O 5 (IO 3 ) 4 ] 2– for Nonlinear Optical Crystal Design

    Inorganic Chemistry · 2026-07-07

    Yi-Xiang Wang, Shu‐Fang Li, Xin-Ran Hao, Zhixiang Wang, Chu Chu, Bingbing Zhang, Dong Yan

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  30. Synergistic Effects of Lattice Stability and Frenkel Defects Designed for Anti‐Thermal Quenching X‐Ray Scintillators

    Advanced Functional Materials · 2026-07-22

    Li J, Yudong Shi, Yutian Lei, Youkui Xu, Huanyu Chen, Guoqiang Peng, Hang Xie, Y N Wu, Y H Deng, Feifei Chai, Hao Jia, Jie Yang, Zhiwen Jin

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  31. Coordination-Mode-Modulated Symmetry Breaking for Nonlinear Optical Crystals

    Inorganic Chemistry · 2026-08-24

    Lan Wang, Zhen Qin, Shu‐Fang Li, Xin-Ran Hao, Chu Chu, Bingbing Zhang, Dong Yan

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  32. Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides

    Angewandte Chemie International Edition · 2026-09-03

    S. D. Lee, Wei Zeng, Congcong Jin, Chong‐An Chen, Kang Min Ok

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  33. Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides

    Angewandte Chemie · 2026-09-03

    S. D. Lee, Wei Zeng, Congcong Jin, Chong‐An Chen, Kang Min Ok

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