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RESEARCH PAPER · Angewandte Chemie International Edition · 2024

Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical Crystal

Jia-Xiang Zhang, Qing-Gang Yue, Shenghua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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Screening Strategy Identifies an Overlooked Deep‐Ultraviolet Transparent Nonlinear Optical CrystalOriginalAchieving the Birefringence Optimization by Methyl Modulation in Organic Nonlinear Optical Crystals15Deep‐Ultraviolet Transparent Nonlinear Optical Phosphates: A New Alternative to Conventional Borates9Unprecedented Deep Ultraviolet (DUV) Birefringence in Fluorides Constructed from Linear π‐Group Anisotropic Structure Building Units29Unprecedented Deep Ultraviolet (DUV) Birefringence in Fluorides Constructed from Linear π‐Group Anisotropic Structure Building Units11D Bi ribbon/[PO 4 ] synergy-driven bismuth phosphates for ultraviolet nonlinear optical crystals with large SHG and birefringence0Deep-ultraviolet nonlinear-optical crystals LiBePO 4 and BeP 2 O 6 synthesized by ionic potential modulation towards uniform arrangement of PO 4 groups5Exploration of nonlinear optical materials by introducing information science4Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units18Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B 5 O 10 ] groups3Two mixed P–O anionic phosphates with a distinctive structural transformation and deep ultraviolet cutoff edge0(NH 4 ) 2 Cd 2 Cl 3 F 3 and (NH 4 ) 2 Cd 2 Br 3 F 3 : The First Fluoride‐Containing d 10 Metal Mixed Halides Exhibiting Superior Ultraviolet Nonlinear Optical Properties28Unveiling the Intrinsic Superior SHG Performance of Ce 4+ Fluoride Masked by Subtle Ce 3+ Impurity and Its Effective Removal13Unveiling the Intrinsic Superior SHG Performance of Ce4+ Fluoride Masked by Subtle Ce3+ Impurity and Its Effective Removal2Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 1131Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 116Discovering Pseudo-Supertetrahedral Functional Units in Salt-Inclusion Nonlinear Optical Material [Ba22(SO4)5][Zn14Ga18S58]14Tuning Birefringence in Supramolecular Mg-PDA Frameworks: Modulating Bonding and Layer Connectivity0Na[B3IO7(OH)] and Na2[B4IO9](IO3): Explorations of Boroiodates with Strong Second Harmonic Generation Response and Large Birefringence54Nonbonding 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 Properties26Hydrogen‐Bonded Assembly of Functional Units for Constructing Linear and Nonlinear Optical Crystals10Controllable Synthesis of a Strong Ultraviolet Nonlinear Optical Crystal by Tailoring the Lead Oxychloride Polyhedron3Three Deep-UV Phosphate Optical Materials with Interesting Structural Evolution0Anion-Ordered [B3O5(OH)2] Induced by Crystal Water with Deep Ultraviolet Transparency and Large Birefringence in Boron-Rich Borophosphates4The different response in band structures and optical properties induced by spin-orbit coupling in Ba3X2(PO4)4 (X = Sb and Bi): A first-principles investigation0Na6(SO4)2SiF6: A Stable Sulfate Fluosilicate with Wide Deep-Ultraviolet Transparency Window and Strong Second-Harmonic Generation Response4Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12Ag(Te 2 O 3 )(PO 4 ): Linear and Nonlinear Optical Properties of a Noncentrosymmetric Phosphotellurite with P–O–Te Connection1Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties3Charge-order-induced directional enhancement of non-diagonal second-order nonlinear optical tensor components2Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence0Tailoring linear and nonlinear optical properties of 2D Sc 2 C MXenes via surface termination modulation0Targeted hydroxyl fluorination for first-principles design of deep-ultraviolet nonlinear optical crystals: multi-property optimization & chromatic dispersion modulation in Li 2 CsB 7 O 10 F 41Sn 4+ /Sn 2+ Aliovalent Substitution: A Strategy for Local Structure Engineering to Enhance Birefringence and Trigger Structural Symmetry Transition0RbLa(SO 4 ) 2 : A KBBF-like Deep-UV Transparent Rare Earth Sulfate with Strong SHG Response and High Thermal Stability Enabled by Multicomponent Structural Design2Strategic Integration Between Trigonal Architecture Construction and Molecular Polarization Enhancement for Record SHG Effect in Selenates4Magnesium Methylphosphonate Ultraviolet Nonlinear Optical Crystal With Ultrawide Bandgap and Strong Second‐Harmonic Generation Response0Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics5Interlayer Electronic Decoupling Unlocks Giant Birefringence in π‐Conjugated Metal‐Organic Frameworks0Deep-Ultraviolet Transparent Zr/Hf Fluorides with Second-Harmonic Generation Effects Induced by Alkali-Metal Modulation2CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances1Symmetry Breaking Induced by Hydration-Number Tuning Enables Second-Order Nonlinear Optical Responses in Lanthanum Sulfate Hydrates0The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1Domino‐Effect Amplification via Covalent‐Chain Engineering for Giant Birefringence in NaAsQ 2 (Q = S, Se) Crystals0Short-UV Metal Halide Nitrates: Moderate SHG in K3Sb(NO3)3F3 and Enhanced Optical Anisotropy in K3Zn(NO3)X4 (X = Cl, Br)0

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  1. Achieving the Birefringence Optimization by Methyl Modulation in Organic Nonlinear Optical Crystals

    Advanced Optical Materials · 2024-09-19

    Dongling Yang, Hongyuan Sha, Zujian Wang, Rongbing Su, Chao He, Bin Su, Xiaoming Yang, Xifa Long

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  2. Deep‐Ultraviolet Transparent Nonlinear Optical Phosphates: A New Alternative to Conventional Borates

    Chemistry - A European Journal · 2024-11-20

    Hua‐Jun Zhao, Jia-Xiang Zhang, Hua Lin

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  3. Unprecedented Deep Ultraviolet (DUV) Birefringence in Fluorides Constructed from Linear π‐Group Anisotropic Structure Building Units

    Angewandte Chemie International Edition · 2024-12-23

    Mengyue Li, Xin Liu, Yichen Liu, Rui‐Xi Wang, Jingyu Guo, Li‐Ming Wu, Li‐Ming Wu, Ling Chen

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  4. Unprecedented Deep Ultraviolet (DUV) Birefringence in Fluorides Constructed from Linear π‐Group Anisotropic Structure Building Units

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    Mengyue Li, Xin Liu, Yichen Liu, Rui‐Xi Wang, Jingyu Guo, Li‐Ming Wu, Ling Chen

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  5. 1D Bi ribbon/[PO 4 ] synergy-driven bismuth phosphates for ultraviolet nonlinear optical crystals with large SHG and birefringence

    Inorganic Chemistry Frontiers · 2025-01-01

    Lei Wu, Xudong Leng, Bao Jiang, Xueyin Fu, Yi Huang, Xue Yu, Qun Jing, Zhaohui Chen

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  6. Deep-ultraviolet nonlinear-optical crystals LiBePO 4 and BeP 2 O 6 synthesized by ionic potential modulation towards uniform arrangement of PO 4 groups

    Inorganic Chemistry Frontiers · 2025-01-01

    Xia Zhang, Jian‐Qiang Shen, Hong-Xiao Lv, Peng-Hui Guo, Yi-Gang Chen, Chun‐Li Hu, Xian‐Ming Zhang

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  7. Exploration of nonlinear optical materials by introducing information science

    Journal of Materials Chemistry C · 2025-01-01

    Kosuke Shirai, Tomoyuki Tamura, Ming‐Hsien Lee, Bingbing Zhang, Masayuki Karasuyama

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  8. 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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  9. Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B 5 O 10 ] groups

    Dalton Transactions · 2025-01-01

    Yixin Song, Hongwei Yu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  10. Two mixed P–O anionic phosphates with a distinctive structural transformation and deep ultraviolet cutoff edge

    Dalton Transactions · 2025-01-01

    Lei Wu, Hongyu Huang, Jialong Wang, Qun Jing, Yi Huang, Xuebin Yu, Zhaohui Chen

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  11. (NH 4 ) 2 Cd 2 Cl 3 F 3 and (NH 4 ) 2 Cd 2 Br 3 F 3 : The First Fluoride‐Containing d 10 Metal Mixed Halides Exhibiting Superior Ultraviolet Nonlinear Optical Properties

    Advanced Science · 2025-01-28

    Seunghun Choi, Yang Li, Yunseung Kuk, Kang Min Ok

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  12. Unveiling the Intrinsic Superior SHG Performance of Ce 4+ Fluoride Masked by Subtle Ce 3+ Impurity and Its Effective Removal

    Angewandte Chemie International Edition · 2025-02-18

    Mengyue Li, Xin Liu, Rui Wang, Li‐Ming Wu, Li‐Ming Wu, Ling Chen, Qi Wu, Qi Wu

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  13. Unveiling the Intrinsic Superior SHG Performance of Ce4+ Fluoride Masked by Subtle Ce3+ Impurity and Its Effective Removal

    Angewandte Chemie · 2025-02-18

    Mengyue Li, Xin Liu, Rui Wang, Li‐Ming Wu, Ling Chen, Qi Wu

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  14. Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 11

    Angewandte Chemie International Edition · 2025-02-26

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

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  15. Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 11

    Angewandte Chemie · 2025-02-26

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

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  16. 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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  17. Tuning Birefringence in Supramolecular Mg-PDA Frameworks: Modulating Bonding and Layer Connectivity

    Inorganic Chemistry · 2025-03-21

    Miao‐Bin Xu, Ning Yu, Jiajia Li, Mingchang Wang, Mo-Fan Zhuo, Ke‐Zhao Du, Jin Chen, Yan Chen

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  18. Na[B3IO7(OH)] and Na2[B4IO9](IO3): Explorations of Boroiodates with Strong Second Harmonic Generation Response and Large Birefringence

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

    Angewandte Chemie · 2025-04-28

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

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  21. Hydrogen‐Bonded Assembly of Functional Units for Constructing Linear and Nonlinear Optical Crystals

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  22. Controllable Synthesis of a Strong Ultraviolet Nonlinear Optical Crystal by Tailoring the Lead Oxychloride Polyhedron

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  23. Three Deep-UV Phosphate Optical Materials with Interesting Structural Evolution

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  24. Anion-Ordered [B3O5(OH)2] Induced by Crystal Water with Deep Ultraviolet Transparency and Large Birefringence in Boron-Rich Borophosphates

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  25. The different response in band structures and optical properties induced by spin-orbit coupling in Ba3X2(PO4)4 (X = Sb and Bi): A first-principles investigation

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  26. Na6(SO4)2SiF6: A Stable Sulfate Fluosilicate with Wide Deep-Ultraviolet Transparency Window and Strong Second-Harmonic Generation Response

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  27. Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons

    Chemical Science · 2025-11-17

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  28. Ag(Te 2 O 3 )(PO 4 ): Linear and Nonlinear Optical Properties of a Noncentrosymmetric Phosphotellurite with P–O–Te Connection

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  29. Chiral-Unit-Driven Short-Wave Ultraviolet Nonlinear Optical Acetates with Balanced Overall Optical Properties

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  30. Charge-order-induced directional enhancement of non-diagonal second-order nonlinear optical tensor components

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  31. Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence

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  32. Tailoring linear and nonlinear optical properties of 2D Sc 2 C MXenes via surface termination modulation

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  33. Targeted hydroxyl fluorination for first-principles design of deep-ultraviolet nonlinear optical crystals: multi-property optimization & chromatic dispersion modulation in Li 2 CsB 7 O 10 F 4

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  34. Sn 4+ /Sn 2+ Aliovalent Substitution: A Strategy for Local Structure Engineering to Enhance Birefringence and Trigger Structural Symmetry Transition

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  35. RbLa(SO 4 ) 2 : A KBBF-like Deep-UV Transparent Rare Earth Sulfate with Strong SHG Response and High Thermal Stability Enabled by Multicomponent Structural Design

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  36. Strategic Integration Between Trigonal Architecture Construction and Molecular Polarization Enhancement for Record SHG Effect in Selenates

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

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  38. Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics

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  39. Interlayer Electronic Decoupling Unlocks Giant Birefringence in π‐Conjugated Metal‐Organic Frameworks

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

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  42. Symmetry Breaking Induced by Hydration-Number Tuning Enables Second-Order Nonlinear Optical Responses in Lanthanum Sulfate Hydrates

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  43. The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals

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  44. Domino‐Effect Amplification via Covalent‐Chain Engineering for Giant Birefringence in NaAsQ 2 (Q = S, Se) Crystals

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  45. Short-UV Metal Halide Nitrates: Moderate SHG in K3Sb(NO3)3F3 and Enhanced Optical Anisotropy in K3Zn(NO3)X4 (X = Cl, Br)

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