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RESEARCH PAPER · Angewandte Chemie International Edition · 2023

Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride

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

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Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal OxychlorideOriginalSecondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence9Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence41Computer-aided screening of bismuth molybdates nonlinear optical crystals γ -Bi 2 MoO 63Large optical anisotropy in noncentrosymmetric phosphate with pseudo 2D intercalated layer16Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types2Molecular 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 Crystals34Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization43A congruent-melting rubidium zinc vanadium oxychloride exhibiting strong mid-infrared second-harmonic generation and high laser-induced damage threshold6Polar and layered wide-bandgap semiconductors WO 2 Cl 2 and MoO 2 Br 2 with giant birefringence, large second harmonic and ferroelectric photovoltaic effects9Disordered layers and dimerization in the crystal structure of TaOCl22Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O23A new neutral organic material DMPO with ultra-strong second-order nonlinear response and excellent anti-deliquescence2Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials2Magnetic Switching of Second-Harmonic Generation from Single Cerium-Based Coordination Polymer Microcrystals4Polymorphic crystal growth for NLO responses by band gap engineering, and charge transfer analysis: experimental vs theoretical exploration4Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates32Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters0Rare-Earth/d10 Dual-Metal Oxychalcogenides as Infrared Nonlinear-Optical Materials10Halogen-Driven Structural Engineering in Tellurium Oxyhalides: Enhanced SHG Response and Broad Optical Transparency6Ca 7 (TeO 3 ) 6 (MoO 4 ): A Promising Mid-Infrared Nonlinear Optical Crystal Activated via a Module-Oriented Dimensionality Reduction Strategy34Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)3Enhancement of optical anisotropy from [BF4] units by ligand substitution0Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation3Breaking 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 Incorporation4[Pb(ptz)(OH)(H2O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence0A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal2A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal12Unlocking Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Polar Organic Sulfonates through Connectivity Regulation6Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances2A universal synthetic strategy for noncentrosymmetric lead oxyhalide frameworks with strong second-harmonic generation0Scalable engineering of the active NiMoO 4 /MoO 2 catalyst by rapid Joule heating for industrial pre-treated seawater electrolysis0中红外氧化物非线性光学晶体研究进展（特邀）0[C 3 N 2 H 5 ]B 7 O 10 F 2 : Demonstrating a New Hydrogen‐Bond‐Induced Intralayer Charge‐Balanced Structure Model with Large Birefringence3Rational design of a quasi-0D tungsten tellurite nonlinear optical crystal with exceptionally balanced properties1From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals4Regulating B‐O Arrangement Boosts Anisotropy in a Simple Rubidium Borate, Leading to a High‐Performance UV NLO Crystal0Steric‐Guided Coordination Engineering Enables Significantly Optimized Optical Anisotropy via Sulfur‐Driven [C 5 H 5 NS] Birefringence‐Active Groups0

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  1. Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence

    Angewandte Chemie · 2023-12-20

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

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  2. Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence

    Angewandte Chemie International Edition · 2023-12-20

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

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  3. Computer-aided screening of bismuth molybdates nonlinear optical crystals γ -Bi 2 MoO 6

    Inorganic Chemistry Frontiers · 2024-01-01

    Xuefan Wang, Yan Xiao, Wenjing Tan, Hongbo Huang, Daqing Yang, Ying Wang, Bingbing Zhang

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  4. 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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  5. Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types

    RSC Advances · 2024-01-01

    Chaoyi Zhu

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  6. 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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  7. 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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  8. Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization

    Advanced Science · 2024-01-30

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

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  9. A congruent-melting rubidium zinc vanadium oxychloride exhibiting strong mid-infrared second-harmonic generation and high laser-induced damage threshold

    Journal of Alloys and Compounds · 2024-04-14

    Lei Geng, Wenfei Li, Chang‐Yu Meng, You‐Zhao Lan, Baozhu Zhu, Shihua Ma, Qi Wu

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  10. Polar and layered wide-bandgap semiconductors WO 2 Cl 2 and MoO 2 Br 2 with giant birefringence, large second harmonic and ferroelectric photovoltaic effects

    Physical review. B./Physical review. B · 2024-04-16

    Hao Huo, Xiao Jiang, Lei Kang

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  11. Disordered layers and dimerization in the crystal structure of TaOCl2

    Journal of Solid State Chemistry · 2024-05-15

    Nicholas Ng, Maxime A. Siegler, Shannon Bernier, Wyatt Bunstine, Tyrel M. McQueen

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  12. Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2

    Journal of the American Chemical Society · 2024-05-23

    Zhaojun Li, Lorenzo Varrassi, Yali Yang, Cesare Franchini, L. Bellaïche, Jiangang He

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  13. A new neutral organic material DMPO with ultra-strong second-order nonlinear response and excellent anti-deliquescence

    Science China Materials · 2024-06-12

    Ran An, Xiangdong Xu, Bingxuan Li, Jun Han, Ruiliang Sun, Mingang Zhang, Yadong Jiang

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  14. Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials

    Journal of Physics D Applied Physics · 2024-06-12

    Jinyu Hu, Jiamei Zhang, Huiyan Zhao, Chao He, Xihu Wang

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  15. Magnetic Switching of Second-Harmonic Generation from Single Cerium-Based Coordination Polymer Microcrystals

    The Journal of Physical Chemistry Letters · 2024-06-21

    Hao Jia, Lingfang Chen, Dongchun Yang, Ye Zou, Hong Wang, Baipeng Yin, Shuming Bai, Chuang Zhang, Jiannian Yao

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  16. Polymorphic crystal growth for NLO responses by band gap engineering, and charge transfer analysis: experimental vs theoretical exploration

    Journal of Solid State Chemistry · 2024-06-21

    Abrar U. Hassan, Yuchuan Li

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  17. Toward Strong UV–Vis–NIR Second-Harmonic Generation by Dimensionality Engineering of Zinc Thiocyanates

    Journal of the American Chemical Society · 2024-10-07

    Haijun Zhang, Xingxing Jiang, Yiran Zhang, Kaining Duanmu, Chao Wu, Zheshuai Lin, Jun Xu, Jinhu Yang, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  18. Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters

    ChemPlusChem · 2024-10-11

    Jinyu Hu, Yuxin Hu, Hui Zhu, Hui‐Yan Zhao, Chao He, Xihu Wang

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  19. Rare-Earth/d10 Dual-Metal Oxychalcogenides as Infrared Nonlinear-Optical Materials

    Inorganic Chemistry · 2024-11-06

    Fang-Xu Tian, Nan Zhang, Wen‐Dong Yao, Mingyang Li, Haiping Xu, Wenlong Liu, Jing Zhu, Sheng‐Ping Guo

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  20. Halogen-Driven Structural Engineering in Tellurium Oxyhalides: Enhanced SHG Response and Broad Optical Transparency

    Inorganic Chemistry · 2025-04-21

    Gen Li, Wei Zeng, Gangji Yi, Xuan Zou, Xize Zhan, Hongmei Zeng, Zhien Lin, Guohong Zou

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  21. Ca 7 (TeO 3 ) 6 (MoO 4 ): A Promising Mid-Infrared Nonlinear Optical Crystal Activated via a Module-Oriented Dimensionality Reduction Strategy

    Journal of the American Chemical Society · 2025-05-15

    Tinghui Zhang, Fei Liang, Conggang Li, Ning Ye, Zhanggui Hu

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  22. 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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  23. 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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  24. Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation

    Science China Materials · 2025-09-03

    Weiping Guo, Yongjia Zhang, Hong‐Hua Cui, Xin‐Xiong Li, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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  25. 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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  26. 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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  27. [Pb(ptz)(OH)(H2O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence

    Inorganic Chemistry · 2025-10-09

    De-Xuan Jiang, Yuhang Wang, Yuxiao Wang, Ling Gao, Song‐De Han, Qi Wei, Li Wei, Guo‐Yu Yang

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  28. A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal

    Angewandte Chemie · 2025-10-17

    Haochen Li, Haotian Tian, Pifu Gong, Tianyu Wang, Hongyu Liu, Bing Li, Qian Wu, Mingjun Xia

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  29. A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal

    Angewandte Chemie International Edition · 2025-10-17

    Haochen Li, Haotian Tian, Pifu Gong, Tianyu Wang, Hongyu Liu, Bing Li, Qian Wu, Mingjun Xia

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  30. 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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  31. 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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  32. A universal synthetic strategy for noncentrosymmetric lead oxyhalide frameworks with strong second-harmonic generation

    Chemical Science · 2026-01-01

    Chen Sun, Xingxing Jiang, Feiyuan Gong, Xiaotian T. Zhang, Chao Wu, Zheshuai Lin, Chi Zhang, Honghan Fei

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  33. Scalable engineering of the active NiMoO 4 /MoO 2 catalyst by rapid Joule heating for industrial pre-treated seawater electrolysis

    Inorganic Chemistry Frontiers · 2026-01-01

    Yiming Chen, Zhan Zhao, Yuanyuan Liu, Kelei Huang, Xiangchao Meng

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  34. 中红外氧化物非线性光学晶体研究进展（特邀）

    Chinese Journal of Lasers · 2026-01-01

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  35. [C 3 N 2 H 5 ]B 7 O 10 F 2 : Demonstrating a New Hydrogen‐Bond‐Induced Intralayer Charge‐Balanced Structure Model with Large Birefringence

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    Chunjie Shen, Huan Zhou, Zhihua Yang, Xueling Hou, Feng Zhang, Shilie Pan

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  36. Rational design of a quasi-0D tungsten tellurite nonlinear optical crystal with exceptionally balanced properties

    Science China Chemistry · 2026-03-19

    Shijie Zhao, Lili Li, Tinghui Zhang, Huijian Zhao, Ning Ye, Zhanggui Hu, Conggang Li

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  37. From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals

    Journal of the American Chemical Society · 2026-05-04

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

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  38. Regulating B‐O Arrangement Boosts Anisotropy in a Simple Rubidium Borate, Leading to a High‐Performance UV NLO Crystal

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  39. Steric‐Guided Coordination Engineering Enables Significantly Optimized Optical Anisotropy via Sulfur‐Driven [C 5 H 5 NS] Birefringence‐Active Groups

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    Jiachen Lu, Chong‐An Chen, Wei Zeng, Kang Min Ok

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