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RESEARCH PAPER · Chemical Science · 2021

To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units

Zhiyong Bai, Lehui Liu, Dongmei Wang, Chun‐Li Hu, Zhoubin Lin

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To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building unitsOriginalLinear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity55Tetrafluoroborate-Monofluorophosphate (NH4)3[PO3F][BF4]: First Member of Oxyfluoride with B–F and P–F Bonds16An Exceptional Thermally Induced Four‐State Nonlinear Optical Switch Arising from Stepwise Molecular Dynamic Changes in a New Hybrid Salt93An Exceptional Thermally Induced Four‐State Nonlinear Optical Switch Arising from Stepwise Molecular Dynamic Changes in a New Hybrid Salt14Hybrid organic–inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application15BaSc 2 (HPO 3 ) 4 (H 2 O) 2 : a new nonlinear optical phosphite exhibiting a 3D {[Sc 2 (HPO 3 ) 4 ] 2− } ∞ anionic framework and phase-matchable SHG effect32Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material44Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering28Polymorphism, polytypism and modular aspect of compounds with the general formula A 2 M 3(TO4)4 (A = Na, Rb, Cs, Ca; M = Mg, Mn, Fe3+, Cu2+; T = S6+, P5+): order–disorder, topological description and DFT calculations11Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra9Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra84Alkali metal sulfate: A new non-π-conjugated deep-ultraviolet quasi-phase matching crystal27An Optimized KBe2BO3F2‐Like Structure: The Unity of Deep‐Ultraviolet Transparency, Nonlinear Optical Property, and Ferroelectricity22Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material18Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation68Exceptionally strong boron nitride nanotube aluminum composite interfaces19K2(H2O)WO3F2: A new nonlinear optical material with remarkable second-harmonic generation response and enhanced laser damage threshold9Sb4O3(TeO3)2(HSO4)(OH): An Antimony Tellurite Sulfate Exhibiting Large Optical Anisotropy Activated by Lone Pair Stereoactivity30Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence79Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence9Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride39Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride8Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction33Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction3Ba 4 B 14 O 25 : A Deep Ultraviolet Transparent Nonlinear Optical Crystal with Strong Second Harmonic Generation Response Achieved by a Boron‐Rich Closed‐Loop Strategy12Mg(C 3 O 4 H 2 )(H 2 O) 2 : A New Ultraviolet Nonlinear Optical Material Derived from KBe 2 BO 3 F 2 with High Performance and Excellent Water‐Resistance7Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance43Secondary‐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 Birefringence41Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization43Guanidinium Vanadate [C(NH2)3]3VO4·2H2O Revealing Enhanced Second-Harmonic Generation and Wide Band Gaps13KPO2(NHCONH2)2: A Promising Deep-Ultraviolet Nonlinear Optical Phosphate Containing Polar [PO2(NHCONH2)2]− Tetrahedra15Record Second-Harmonic Generation and Birefringence in an Ultraviolet Antimonate by Bond Engineering157Effect of silver nanoparticles size on the ultrafast optical nonlinear and optical limiting properties of Nd3+ doped antimony borate glasses8Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approach3SbO(OH)2(IO3): The First Polar Sb5+‐Iodate with a Strong Second‐Harmonic Generation Response and a Wide Bandgap8Functional assembly and modification of nonlinear optical fundamental motifs in phosphates27Metal passivation strengthens the interface in titanium composites reinforced with boron nitride nanotubes1Exploiting Rigid Inorganic π‐Conjugated Units and Deprotonatable Organic π‐Conjugated Dimers for Enhanced Linear and Nonlinear Optical Properties9[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15Designing an all-organic wide bandgap ultraviolet nonlinear optical crystal3Stepwise Substitution Strategy for Beryllium-Based Selenites with Enhanced SHG Response, Moderate Birefringence, and Short UV Cutoff Edges6Covalent hybrid cadmium halides with heteroleptic tetrahedral units exhibiting a wideband nonlinear optical response0When Octahedra Learn to Be Prisms: Unlocking a Record Deep‑UV NLO Crystal0When Octahedra Learn to Be Prisms: Unlocking a Record Deep‑UV NLO Crystal0FBB-directed open framework evolution in alkali metal borates: Synthesis and structure property relationships of NaRb2B9O150

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  1. Linear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity

    Inorganic Chemistry · 2021-07-21

    Qi Wei, Kui Wang, Chao He, Li Wei, Xiaofei Li, Shuo Zhang, Xing‐Tao An, Jinhua Li, Guo‐Ming Wang

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  2. Tetrafluoroborate-Monofluorophosphate (NH4)3[PO3F][BF4]: First Member of Oxyfluoride with B–F and P–F Bonds

    ACS Organic & Inorganic Au · 2021-08-04

    Haotian Qiu, Wenbing Cai, Zhihua Yang, Yanli Liu, Miriding Mutailipu, Shilie Pan

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  3. An Exceptional Thermally Induced Four‐State Nonlinear Optical Switch Arising from Stepwise Molecular Dynamic Changes in a New Hybrid Salt

    Angewandte Chemie International Edition · 2021-10-17

    Ying Zeng, Chun‐Li Hu, Wei‐Jian Xu, Tengwu Zeng, Zhaoxiang Zhu, Xiao‐Xian Chen, De‐Xuan Liu, Yu‐Jie Chen, Yue‐Biao Zhang, Wei‐Xiong Zhang, Xiao‐Ming Chen

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  4. An Exceptional Thermally Induced Four‐State Nonlinear Optical Switch Arising from Stepwise Molecular Dynamic Changes in a New Hybrid Salt

    Angewandte Chemie · 2021-10-17

    Ying Zeng, Chun‐Li Hu, Wei‐Jian Xu, Tengwu Zeng, Zhaoxiang Zhu, Xiao‐Xian Chen, De‐Xuan Liu, Yu‐Jie Chen, Yue‐Biao Zhang, Wei‐Xiong Zhang, Xiao‐Ming Chen

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  5. Hybrid organic–inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application

    Dalton Transactions · 2021-12-15

    Dongmei Wang, Zhuangzhuang Wei, Zhiyong Bai, Lehui Liu, Zhoubin Lin, Lizhen Zhang

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  6. BaSc 2 (HPO 3 ) 4 (H 2 O) 2 : a new nonlinear optical phosphite exhibiting a 3D {[Sc 2 (HPO 3 ) 4 ] 2− } ∞ anionic framework and phase-matchable SHG effect

    Inorganic Chemistry Frontiers · 2022-01-01

    Ru‐Ling Tang, Gang-Xiang Liu, Wen‐Dong Yao, Li-Nan Zhang, Wenlong Liu, Sheng‐Ping Guo

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  7. Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material

    Chemical Science · 2022-01-01

    Meng Cheng, Wenqi Jin, Zhihua Yang, Shilie Pan

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  8. Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering

    Chemical Science · 2022-01-01

    Yilei Hu, Xingxing Jiang, Tianhui Wu, Yanyan Xue, Chao Wu, Zhipeng Huang, Zheshuai Lin, Jun Qiang Xu, Mark Graeme Humphrey, Chi Zhang

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  9. Polymorphism, polytypism and modular aspect of compounds with the general formula A 2 M 3(TO4)4 (A = Na, Rb, Cs, Ca; M = Mg, Mn, Fe3+, Cu2+; T = S6+, P5+): order–disorder, topological description and DFT calculations

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2022-01-25

    Sergey M. Aksenov, Andrey Antonov, Dina Deyneko, Sergey Krivovichev, Stefano Merlino

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  10. Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra

    Angewandte Chemie · 2022-02-18

    Haotian Tian, Ning Ye, Min Luo

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  11. Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra

    Angewandte Chemie International Edition · 2022-02-18

    Haotian Tian, Ning Ye, Min Luo

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  12. Alkali metal sulfate: A new non-π-conjugated deep-ultraviolet quasi-phase matching crystal

    Scripta Materialia · 2022-04-28

    Hongyuan Sha, Junxin Xu, Lingxiong Huang, Zheyao Xiong, Zujian Wang, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long

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  13. An Optimized KBe2BO3F2‐Like Structure: The Unity of Deep‐Ultraviolet Transparency, Nonlinear Optical Property, and Ferroelectricity

    Advanced Optical Materials · 2022-05-02

    Hongyuan Sha, Junxin Xu, Zheyao Xiong, Zujian Wang, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long, Ying Liu

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  14. Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material

    Inorganic Chemistry · 2022-05-02

    Ruixin Guo, Xingxing Jiang, Shu Hai Guo, Mingjun Xia, Lijuan Liu, Zheshuai Lin, Xiaoyang Wang

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  15. Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation

    Journal of the American Chemical Society · 2022-10-19

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

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  16. Exceptionally strong boron nitride nanotube aluminum composite interfaces

    Extreme Mechanics Letters · 2022-12-27

    Yingchun Jiang, Ning Li, Zihan Liu, Chenglin Yi, Huimin Zhou, Cheol Park, Catharine C. Fay, Jia Deng, Huck Beng Chew, Changhong Ke

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  17. K2(H2O)WO3F2: A new nonlinear optical material with remarkable second-harmonic generation response and enhanced laser damage threshold

    Journal of Alloys and Compounds · 2023-02-14

    Hong‐Xin Tang, Ruibiao Fu, Zuju Ma, Xintao Wu

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  18. Sb4O3(TeO3)2(HSO4)(OH): An Antimony Tellurite Sulfate Exhibiting Large Optical Anisotropy Activated by Lone Pair Stereoactivity

    Inorganic Chemistry · 2023-04-21

    Xiaofei Li, Kui Wang, Chao He, Jinhua Li, Xing‐Tao An, Jie Pan, Qi Wei, Guo‐Ming Wang, Guo‐Yu Yang

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  19. Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence

    Angewandte Chemie International Edition · 2023-05-22

    Haotian Tian, Chensheng Lin, Yuqiao Zhou, Xin Lei Zhao, Huixin Fan, Tao Yan, Ning Ye, Min Luo

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  20. Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence

    Angewandte Chemie · 2023-05-22

    Haotian Tian, Chensheng Lin, Yuqiao Zhou, Xin Lei Zhao, Huixin Fan, Tao Yan, Ning Ye, Min Luo

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

    Angewandte Chemie International Edition · 2023-08-23

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

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

    Angewandte Chemie · 2023-08-23

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

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

    Angewandte Chemie International Edition · 2023-11-06

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

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

    Angewandte Chemie · 2023-11-06

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

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  25. Ba 4 B 14 O 25 : A Deep Ultraviolet Transparent Nonlinear Optical Crystal with Strong Second Harmonic Generation Response Achieved by a Boron‐Rich Closed‐Loop Strategy

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    Weijie Xie, Ru‐Ling Tang, Shengnan Yan, Nan Ma, Chun‐Li Hu, Jiang‐Gao Mao

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  26. Mg(C 3 O 4 H 2 )(H 2 O) 2 : A New Ultraviolet Nonlinear Optical Material Derived from KBe 2 BO 3 F 2 with High Performance and Excellent Water‐Resistance

    Angewandte Chemie · 2023-11-27

    Lingli Wu, Chensheng Lin, Haotian Tian, Yuqiao Zhou, Huixin Fan, Shunda Yang, Ning Ye, Min Luo

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  27. Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance

    Angewandte Chemie International Edition · 2023-11-28

    Lingli Wu, Chensheng Lin, Haotian Tian, Yuqiao Zhou, Huixin Fan, Shunda Yang, Ning Ye, Min Luo

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  28. 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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  29. 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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  30. 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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  31. Guanidinium Vanadate [C(NH2)3]3VO4·2H2O Revealing Enhanced Second-Harmonic Generation and Wide Band Gaps

    Inorganic Chemistry · 2024-02-05

    Zhiyong Bai, Yunseung Kuk, Jihyun Lee, Heewon Kim, Kang Min Ok

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  32. KPO2(NHCONH2)2: A Promising Deep-Ultraviolet Nonlinear Optical Phosphate Containing Polar [PO2(NHCONH2)2]− Tetrahedra

    Chemistry of Materials · 2024-03-04

    Fuhai Chen, Fuxiang Mo, Hongming Chen, Mei‐Jin Lin, Yong Chen

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  33. Record Second-Harmonic Generation and Birefringence in an Ultraviolet Antimonate by Bond Engineering

    Journal of the American Chemical Society · 2024-03-11

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

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  34. Effect of silver nanoparticles size on the ultrafast optical nonlinear and optical limiting properties of Nd3+ doped antimony borate glasses

    Infrared Physics & Technology · 2024-03-18

    Basappa, T.N. Ashoka, Sangeeta B. Kolavekar, K.N. Sathish, Shankar Shashidhar, K. Keshavamurthy, Aljawhara H. Almuqrin, Dalal Abdullah Aloraini, M.I. Sayyed, Rajanavaneethakrishna Rajaramakrishna, A.G. Pramod, S. Venugopal Rao, Gangareddy Jagannath

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  35. Exploration of the structure, electronic and optical properties of AB 2(PO3)5 polyphosphates: a first-principle approach

    Physica Scripta · 2024-09-30

    Y N Zhuravlev, Ziad Y. Khattari

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

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  37. Functional assembly and modification of nonlinear optical fundamental motifs in phosphates

    Coordination Chemistry Reviews · 2024-11-27

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  38. Metal passivation strengthens the interface in titanium composites reinforced with boron nitride nanotubes

    Materialia · 2025-02-08

    Zihan Liu, Ning Li, Yingchun Jiang, Chenglin Yi, Cheol Park, Catharine C. Fay, Huck Beng Chew, Changhong Ke

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  39. Exploiting Rigid Inorganic π‐Conjugated Units and Deprotonatable Organic π‐Conjugated Dimers for Enhanced Linear and Nonlinear Optical Properties

    Laser & Photonics Review · 2025-05-12

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  40. [CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy

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  41. Designing an all-organic wide bandgap ultraviolet nonlinear optical crystal

    Science China Chemistry · 2025-06-30

    Shanshan Chen, Zhiyong Bai, Liangmeng Zhu, Tao Ouyang, Chen Xu, Shoufeng Wang, Yanqiang Li, Weiqi Huang, Sangen Zhao, Junhua Luo

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  42. Stepwise Substitution Strategy for Beryllium-Based Selenites with Enhanced SHG Response, Moderate Birefringence, and Short UV Cutoff Edges

    Chemistry of Materials · 2025-11-17

    Yurui Wang, Xuehua Dong, Wei Zeng, Ling Huang, Zhien Lin, Hongmei Zeng, Guohong Zou

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  43. Covalent hybrid cadmium halides with heteroleptic tetrahedral units exhibiting a wideband nonlinear optical response

    Inorganic Chemistry Frontiers · 2026-01-01

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  44. When Octahedra Learn to Be Prisms: Unlocking a Record Deep‑UV NLO Crystal

    Angewandte Chemie International Edition · 2026-07-11

    Qi Gao, Hongping Wu, Hu Z, Jiyang Wang, Yizhi Wu, Hongwei Yu

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  45. When Octahedra Learn to Be Prisms: Unlocking a Record Deep‑UV NLO Crystal

    Angewandte Chemie · 2026-07-11

    Qi Gao, Hongping Wu, Hu Z, Jiyang Wang, Yizhi Wu, Hongwei Yu

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  46. FBB-directed open framework evolution in alkali metal borates: Synthesis and structure property relationships of NaRb2B9O15

    Journal of Molecular Structure · 2026-10-03

    Mengyang Jiao, Jiaxing Wei, Jianji Yao, Xifa Long, Yun Yang

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