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RESEARCH PAPER · Chemistry of Materials · 2021

A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation

Yilei Hu, Xingxing Jiang, Chao Wu, Zhipeng Huang, Zheshuai Lin, Mark Graeme Humphrey, Chi Zhang

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A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine IncorporationOriginalBa 2 [WO 3 F(IO 3 )][WO 3 F 2 ]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond7CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions22Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate24Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response31High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence21High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence199HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response19One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response29NH4IO2F2 and (NH4)3(IO2F2)3·H2O: A Series of Ammonium-Containing Fluoroiodates with Wide Band Gaps12MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains16ZrF2(IO3)2 and RbGaF3(IO3): Two Promising Birefringent Crystals Featuring 1D Metal-Fluoride Cationic Chains and Wide Bandgaps22Recent advances in F-containing iodate nonlinear optical materials6CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination8Alignment of Λ-Shaped Basic Building Units to Construct One New KMoO3(IO3) Polar Polymorph11Tuning the UV absorbing ability of CeO2 nanoparticles with F− doping32Advances in aliovalent substitution strategy for the design and synthesis of nonlinear optical materials: d0 transition metal/gallium iodates and selenites70A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions15Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl2A survey of stereoactive oxysalts for linear and nonlinear optical applications40LiGa(IO3)4: An Excellent NLO Material with Unprecedented 2D [Ga(IO3)4]∞− Layer Synthesized by Aliovalent Substitution20Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals15Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals70NaMoO 3 (IO 3 )(H 2 O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy8Fluorination strategy toward chemical and functional modification65Secondary‐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 Birefringence41(C(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence20Ba 2 Ga 2 F 6 (IO 3 )(PO 4 ): the first fluoride-containing iodate-phosphate with a 1D [Ga 2 F 6 (IO 3 )(PO 4 )] 4− helix chain2Explorations of highly birefringent materials in the vanadium oxyfluoride–iodate system by fluoride ion modulation8From NaGa(IO3)3F to NaGa(IO3)2F2 and NaGa(IO3)4: The Effects of Chemical Substitution between F– Anions and IO3– Groups on the Structures and Properties of Gallium Iodates13AX·(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 Gap20Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization10Pb2TeV2O10: A Lead Vanadate Tellurate with Wide Mid-IR Transparency and Large Birefringence Induced by Multiple Birefringence-Active Groups11(C 5 N 2 H 7 )IO 2 F 2 and (C 3 N 6 H 8 )(IO 2 F 2 ) 2 : two new organic–inorganic hybrid fluoroiodate birefringent crystals7A new ultraviolet-transparent molybdate featuring a layered structure and moderate birefringence0CdF(C 6 H 4 NO 2 )(H 2 O): a UV nonlinear optical material with unprecedented SHG and birefringence via π-conjugated rings and a unique “Warren truss structure”11Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio14Synergistic triple-site engineering in ABX-type hybrid halides for high-performance nonlinear optical crystals13La3Ga5HfO14: Rare-Earth Polyhedron Coupled with Structural Protected Octahedron for Designing Nonlinear Optical Material with Wide Bandgap and Well-Balanced Properties5Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O0Optical properties and catalytic performance of (CeO)4Ga2S5 polycrystals by F doping0Hydrogen-bond-driven noncentrosymmetric structure formation in π-conjugated (C3H7N6)(IO3): achieving both strong SHG response and wide bandgap5Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials10Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials5KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy7Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials3Bonding-type-driven structural transformation toward novel fluoroiodosulfates: Achieving non-centrosymmetry and enhanced optical properties in K2(IO3F)SO30Ba 4 CdGa 2 S 6 F 4 : A Chalcohalide Birefringent Crystal with Large Band Gap Designed by the Cation and Anion Cosubstitution Strategy2Parallel arrangement of functional building blocks: toward performance synergy in oxalate borate ultraviolet nonlinear optical crystals0

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  1. Ba 2 [WO 3 F(IO 3 )][WO 3 F 2 ]: the first polar fluorinated tungsten iodate featuring a direct W–O–I bond

    Dalton Transactions · 2022-01-01

    Ying Hou, Hongyi Li, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  2. CaCe(IO 3 ) 3 (IO 3 F)F: a promising nonlinear optical material containing both IO 3 − and IO 3 F 2− anions

    Inorganic Chemistry Frontiers · 2022-01-01

    Nan Ma, Chun‐Li Hu, Jin Chen, Zhi Gang Fang, Yu Huang, Bingxuan Li, Jiang‐Gao Mao

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  3. Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate

    Journal of Materials Chemistry C · 2022-01-01

    Mengmeng Ding, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  4. Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence

    SSRN Electronic Journal · 2022-01-01

    Xuqi Zhang, Yanyan Xue, Lei Yang, Chao Wu, Zhipeng Huang, Jun Xu, Mark Graeme Humphrey, Chi Zhang

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  5. Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response

    Chemical Communications · 2022-01-01

    Wei Zeng, Xuehua Dong, Yao Tian, Ling Huang, Hongmei Zeng, Zhien Lin, Guohong Zou

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  6. High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence

    Angewandte Chemie · 2022-01-04

    Xuehua Dong, Ling Huang, Hongmei Zeng, Zhien Lin, Kang Min Ok, Guohong Zou

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  7. High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence

    Angewandte Chemie International Edition · 2022-01-04

    Xuehua Dong, Ling Huang, Hongmei Zeng, Zhien Lin, Kang Min Ok, Guohong Zou

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  8. HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response

    Journal of Alloys and Compounds · 2022-01-11

    Yinglei Han, Xin Lei Zhao, Feng Xu, Bingxuan Li, Ning Ye, Min Luo

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  9. One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response

    Chemistry of Materials · 2022-03-29

    Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  10. NH4IO2F2 and (NH4)3(IO2F2)3·H2O: A Series of Ammonium-Containing Fluoroiodates with Wide Band Gaps

    Inorganic Chemistry · 2022-07-21

    Jianlong Huang, Fengjiao Guo, Zhiyong Guo, Jianbang Chen, Bin Dai, Feng Yu

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  11. MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains

    Inorganic Chemistry · 2022-10-26

    Hang Liu, Yanhong Wang, Ya-Dong Zhou, Shuang Li, Yaling Dou, Tao Wang, Hongcheng Lu

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  12. ZrF2(IO3)2 and RbGaF3(IO3): Two Promising Birefringent Crystals Featuring 1D Metal-Fluoride Cationic Chains and Wide Bandgaps

    Inorganic Chemistry · 2022-10-26

    Jin Chen, Ke‐Zhao Du

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  13. Recent advances in F-containing iodate nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-01-01

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

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  14. CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination

    Inorganic Chemistry · 2023-02-15

    Yu Huang, Bingxuan Li, Chun‐Li Hu, Bing‐Ping Yang, Jiang‐Gao Mao

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  15. Alignment of Λ-Shaped Basic Building Units to Construct One New KMoO3(IO3) Polar Polymorph

    Inorganic Chemistry · 2023-02-22

    Qing Li, Haonan Liu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  16. Tuning the UV absorbing ability of CeO2 nanoparticles with F− doping

    FlatChem · 2023-03-16

    Bingting Bao, Yakun Sun, Xinxu Li, Xinxu Li, Lingyun Li, Yan Yu

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  17. Advances in aliovalent substitution strategy for the design and synthesis of nonlinear optical materials: d0 transition metal/gallium iodates and selenites

    Coordination Chemistry Reviews · 2023-05-22

    Zhiyong Bai, Kang Min Ok

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  18. A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions

    Materials Today Physics · 2023-06-01

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

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  19. 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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  20. A survey of stereoactive oxysalts for linear and nonlinear optical applications

    Materials Today Physics · 2023-08-12

    Pengfei Li, Jiang‐Gao Mao, Fang Kong

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  21. LiGa(IO3)4: An Excellent NLO Material with Unprecedented 2D [Ga(IO3)4]∞− Layer Synthesized by Aliovalent Substitution

    Small · 2023-09-07

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

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  22. Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals

    Angewandte Chemie · 2023-11-27

    Haotian Qiu, Fuming Li, Congcong Jin, Zhihua Yang, Junjie Li, Shilie Pan, Miriding Mutailipu

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  23. Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals

    Angewandte Chemie International Edition · 2023-11-27

    Haotian Qiu, Fuming Li, Congcong Jin, Zhihua Yang, Junjie Li, Shilie Pan, Miriding Mutailipu

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  24. NaMoO 3 (IO 3 )(H 2 O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy

    Dalton Transactions · 2023-12-06

    Yi Shui, Zhengli Liang, Zhenhua Li, Jiahao Wan, Lehui Liu, Xingxing Jiang, Zheshuai Lin, Hongming Liu

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  25. Fluorination strategy toward chemical and functional modification

    Fundamental Research · 2023-12-19

    Haotian Qiu, Shilie Pan, Miriding Mutailipu

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  26. 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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  27. 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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  28. (C(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence

    Inorganic Chemistry · 2023-12-22

    Juhui Cui, Shi‐Bin Wang, Abudukadi Tudi, Minqiang Gai, Zhihua Yang, Shilie Pan

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  29. Ba 2 Ga 2 F 6 (IO 3 )(PO 4 ): the first fluoride-containing iodate-phosphate with a 1D [Ga 2 F 6 (IO 3 )(PO 4 )] 4− helix chain

    Dalton Transactions · 2024-01-01

    Miao‐Bin Xu, Jiajia Li, Huai‐Yu Wu, Nan Ma, Ning Yu, Mo-Fan Zhuo, Jin Chen, Ke‐Zhao Du

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  30. Explorations of highly birefringent materials in the vanadium oxyfluoride–iodate system by fluoride ion modulation

    Journal of Materials Chemistry C · 2024-01-01

    Yu Huang, Xueying Zhang, Sangen Zhao, Jiang‐Gao Mao, Bing‐Ping Yang

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  31. From NaGa(IO3)3F to NaGa(IO3)2F2 and NaGa(IO3)4: The Effects of Chemical Substitution between F– Anions and IO3– Groups on the Structures and Properties of Gallium Iodates

    Inorganic Chemistry · 2024-01-01

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

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  32. 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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  33. Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization

    Crystal Growth & Design · 2024-04-01

    Wenyao Zhang, Zichen Li, Xudong Leng, Qun Jing, Qiao Wen

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  34. 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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  35. (C 5 N 2 H 7 )IO 2 F 2 and (C 3 N 6 H 8 )(IO 2 F 2 ) 2 : two new organic–inorganic hybrid fluoroiodate birefringent crystals

    Dalton Transactions · 2025-01-01

    Si Yuan, Chun‐Li Hu, Jiang‐Gao Mao

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  36. A new ultraviolet-transparent molybdate featuring a layered structure and moderate birefringence

    New Journal of Chemistry · 2025-01-01

    Shiyu Du, Paipai Zhang, Haozhen Liu, Donghai An, Yanna Chen

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  37. CdF(C 6 H 4 NO 2 )(H 2 O): a UV nonlinear optical material with unprecedented SHG and birefringence via π-conjugated rings and a unique “Warren truss structure”

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  38. Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio

    Advanced Functional Materials · 2025-01-17

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  39. Synergistic triple-site engineering in ABX-type hybrid halides for high-performance nonlinear optical crystals

    Chinese Chemical Letters · 2025-05-29

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  40. La3Ga5HfO14: Rare-Earth Polyhedron Coupled with Structural Protected Octahedron for Designing Nonlinear Optical Material with Wide Bandgap and Well-Balanced Properties

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  41. Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O

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  42. Optical properties and catalytic performance of (CeO)4Ga2S5 polycrystals by F doping

    Physica Scripta · 2025-07-29

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  43. Hydrogen-bond-driven noncentrosymmetric structure formation in π-conjugated (C3H7N6)(IO3): achieving both strong SHG response and wide bandgap

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  44. Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials

    Coordination Chemistry Reviews · 2025-11-06

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  45. Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials

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

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  47. Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials

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  48. Bonding-type-driven structural transformation toward novel fluoroiodosulfates: Achieving non-centrosymmetry and enhanced optical properties in K2(IO3F)SO3

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  49. Ba 4 CdGa 2 S 6 F 4 : A Chalcohalide Birefringent Crystal with Large Band Gap Designed by the Cation and Anion Cosubstitution Strategy

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  50. Parallel arrangement of functional building blocks: toward performance synergy in oxalate borate ultraviolet nonlinear optical crystals

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