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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2022

Noncentrosymmetric Rare-Earth Borate Fluoride La2B5O9F3: A New Ultraviolet Nonlinear Optical Crystal with Enhanced Linear and Nonlinear Performance

Xuping Shi, Abudukadi Tudi, Meng Cheng, Fangfang Zhang, Zhihua Yang, Shujuan Han, Shilie Pan

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Noncentrosymmetric Rare-Earth Borate Fluoride La2B5O9F3: A New Ultraviolet Nonlinear Optical Crystal with Enhanced Linear and Nonlinear PerformanceOriginalSynthesis, structure and characterization of Pr[B5O8(OH)]NO3·2H2O0RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr2(SO4)334From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34New Low-Dimensional Lead-Free Perovskite (2-AMP)2BiX7·H2O (X = Cl, Br) Crystals: Synthesis, Stability, and Nonlinear Optical Properties27LiRE(SO 4 ) 2 (RE = Y, Gd, Eu): noncentrosymmetric chiral rare-earth sulfates with very large band gaps21Rb 3 B 5 O 8 F 2 and K 0.6 Rb 2.4 B 5 O 8 F 2 : two new deep-ultraviolet transparent nonlinear optical fluorooxoborates designed by cation regulation13Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra10KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra26Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe 2 BO 3 F 2 -like structure and disordered cations2Rational Design of the First Ammonium Magnesium Borate with Deep-Ultraviolet Cutoff Edge and Moderate Birefringence and Further Investigation into the Nature of Ammonium in the Borate System15Alignment of Λ-Shaped Basic Building Units to Construct One New KMoO3(IO3) Polar Polymorph11The First UV Nonlinear Optical Selenite Material: Fluorination Control in CaYF(SeO 3 ) 2 and Y 3 F(SeO 3 ) 485The First UV Nonlinear Optical Selenite Material: Fluorination Control in CaYF(SeO3)2 and Y3F(SeO3)47Recent Development of Sn II , Sb III ‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence130Recent Development of SnII, SbIII‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence6Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution4Mixed Rare-Earth Chalcogenide Borate Eu9–xRExMgS2B20O41 (RE = Sm, Gd) Featuring a 3D {[B20O41]22–}∞ Framework Connected by [B6O9(O0.5)6]6– and [B7O13(O0.5)3]8– Clusters7Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B3O3] Six-Membered Rings as Structural Features20Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit38Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit1Ultraviolet Crystal with Strong Optical Nonlinearity by Creating Halogen-Centered Secondary Building Blocks15Three Borates Belonging to the A(I)7Ae(II)Re(III)2B15O30 Family as Promising Nonlinear Optical Crystals12Pressure driven structural phase transitions and modulations in optical properties of lanthanum nitride: an account from on the fly molecular dynamics and SCF vis-à-vis non-SCF first-principle calculations13Rare-Earth Scandium Borate Fluoride with a Deep-Ultraviolet Cutoff Edge12YSO4F·H2O: A Deep-Ultraviolet Birefringent Rare-Earth Sulfate Fluoride with Enhanced Birefringence Induced by Fluorinated Y-Centered Polyhedra19Achieving great optical anisotropy with the well-directed alignment of π-conjugated groups due to hydrogen bonds9A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B 3 O 3 F 4 (OH)] 2−14Pb 2 Ga 3 F 6 (SeO 3 ) 2 X 3 ·2H 2 O (X = Cl, Br): two new HTO-type members exhibiting large NLO effects mediated by ionic mixing and substitution strategies10Na3K6(CO3)3(NO3)2X·6H2O (X = NO3, Cl, Br): Exploring High-Performance UV Birefringent Crystals Induced by Coplanar π-Conjugated CO3 and NO3 Groups15Deep-Ultraviolet Bialkali–Rare Earth Metal Anhydrous Sulfate Birefringent Crystal11Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66Hydroflux Synthesis and Structural Phase Transition of Rare‐Earth Borate Hydroxides Na2[RE(BO3)(OH)2] (RE=Y, Gd−Er)7K3Y3(BO3)4: A Potential UV Nonlinear-Optical Crystal Designed by a Chemical Substitution Strategy14Li2NaB3S2O12: A Deep-UV Transparent Borosulfate with Moderate Birefringence Derived from the [B3S2O12]∞ Infinite Chain Designed by the High Boron-to-Sulfur Ratio Strategy6K6NaCaRe2(B5O10)3 (Re = Y, Lu): Two NLO Compounds Exhibiting a Short Absorption Edge in the A7–xA’xAeRe2(B5O10)3 (x = 0, 1) Family4β-LaTeBO 5 and RETeBO 5 (RE = Y, Gd, Tb): explorations of new optical materials in the RE( iii )–Te( iv )–B–O system7Size effect of cations in the A2B3O4F3 family: Based on the new member Cs2B3O4F34LiAgCe2F10(H2O)2: Focusing on the Cation Size Effect to Reasonably Design a Nonlinear Optical Hydrated Cerium(IV) Fluoride10Optimizing the Hydrogen-Bond Network Drives Cadmium Ce(IV) Fluoride Hydrate with Significantly Enhanced Optical Anisotropy8Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20Enhancement of Birefringence in Alkali Metal Sulfates Induced by Rare Earth Metal-Centered Polyhedra and Structure Regulation via Cations2Two scandium borate UV NLO crystals designed through chemical element substitution1Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances3Strategic Oxygen‐Substitution in Perfluorinated Ce(IV) Coordination Frameworks Triggers Dual‐Wavelength Nonlinear Optical Materials With Exceptional Performances32Li 6 Lu(BO 3 ) 3 : A Rare-Earth Borate Crystal Exhibiting Large Birefringence and Broad UV Transparency1Ternary Anion‐Engineered Rare Earth Crystals for Broadband UV Transparency and Enhanced Second‐Harmonic Generation1Unlocking Hidden Potential via Reprogrammed Mineral Structures: How Anionic Transformation Achieves Ultraviolet Nonlinear Optical Performance0

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  1. Synthesis, structure and characterization of Pr[B5O8(OH)]NO3·2H2O

    Results in Chemistry · 2022-01-01

    Han‐Qing Wu, Yanying Li

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  2. RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

    ACS Materials Letters · 2022-05-31

    Man-Man Chen, Shenghua Zhou, Wenbo Wei, Mao‐Yin Ran, Bingxuan Li, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  3. Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr2(SO4)3

    Molecules · 2022-06-21

    Yuriy G. Denisenko, Victor V. Atuchin∥⊥, Мaxim S. Моlokeev, Alexander E. Sedykh, Nikolay A. Khritokhin, Aleksandr S. Aleksandrovsky, Aleksandr S. Oreshonkov, N. P. Shestakov, S. V. Adichtchev, Alexey M. Pugachev, Elena I. Sal’nikova, О. В. Андреев, Illariia A. Razumkova, Klaus Müller‐Buschbaum

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  4. From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement

    ACS Applied Materials & Interfaces · 2022-08-18

    Mengfan Wu, Junwei Feng, Congwei Xie, Abudukadi Tudi, Dongdong Chu, Juanjuan Lu, Shilie Pan, Zhihua Yang

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  5. New Low-Dimensional Lead-Free Perovskite (2-AMP)2BiX7·H2O (X = Cl, Br) Crystals: Synthesis, Stability, and Nonlinear Optical Properties

    Inorganic Chemistry · 2022-09-12

    Defu Sun, Duanliang Wang, Hanzhang Chen, Ruoxian Hou, Yangyang Dang, Kui Wu, Jiyang Wang, Chuanying Shen

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  6. LiRE(SO 4 ) 2 (RE = Y, Gd, Eu): noncentrosymmetric chiral rare-earth sulfates with very large band gaps

    Materials Chemistry Frontiers · 2022-11-30

    Sunghwan Cho, Kang Min Ok

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  7. Rb 3 B 5 O 8 F 2 and K 0.6 Rb 2.4 B 5 O 8 F 2 : two new deep-ultraviolet transparent nonlinear optical fluorooxoborates designed by cation regulation

    Inorganic Chemistry Frontiers · 2022-12-06

    Ruonan Zhang, Bingliang Cheng, Xuping Wang, Rong Yang, Zhihua Yang, Shujuan Han, Shilie Pan

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  8. Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra

    CrystEngComm · 2023-01-01

    Jingdong Yan, Dongdong Chu, Fangfang Zhang, Zhihua Yang, Shilie Pan, Xueling Hou

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  9. KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra

    Inorganic Chemistry Frontiers · 2023-01-01

    Jie Song, Conggang Li, Jinmiao Jiao, Yuheng She, Wenli Zhao, Fei Liang, Ning Ye, Zhanggui Hu, Yicheng Wu

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  10. Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe 2 BO 3 F 2 -like structure and disordered cations

    New Journal of Chemistry · 2023-01-01

    Junxin Xu, Hongyuan Sha, Yanran Shang, Zujian Wang, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long

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  11. Rational Design of the First Ammonium Magnesium Borate with Deep-Ultraviolet Cutoff Edge and Moderate Birefringence and Further Investigation into the Nature of Ammonium in the Borate System

    Inorganic Chemistry · 2023-01-18

    Feixiang Wang, Mengfan Wu, Zhihua Yang, Xifa Long, Yun Mo Yang, Shilie Pan

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  12. 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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  13. The First UV Nonlinear Optical Selenite Material: Fluorination Control in CaYF(SeO 3 ) 2 and Y 3 F(SeO 3 ) 4

    Angewandte Chemie International Edition · 2023-02-27

    Pengfei Li, Chun‐Li Hu, Fang Kong, Jiang‐Gao Mao

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  14. The First UV Nonlinear Optical Selenite Material: Fluorination Control in CaYF(SeO3)2 and Y3F(SeO3)4

    Angewandte Chemie · 2023-02-27

    Pengfei Li, Chun‐Li Hu, Fang Kong, Jiang‐Gao Mao

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  15. Recent Development of Sn II , Sb III ‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence

    Angewandte Chemie International Edition · 2023-03-13

    Shujuan Han, Abudukadi Tudi, Wenbin Zhang, Xueling Hou, Zhihua Yang, Shilie Pan

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  16. Recent Development of SnII, SbIII‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence

    Angewandte Chemie · 2023-03-13

    Shujuan Han, Abudukadi Tudi, Wenbin Zhang, Xueling Hou, Zhihua Yang, Shilie Pan

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  17. Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution

    Journal of Alloys and Compounds · 2023-04-05

    Wen-Xiu Bao, Ziqi Zhou, Xiangyu Zhang, Ruibiao Fu, Hong‐Xin Tang, Zuju Ma, Xintao Wu

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  18. Mixed Rare-Earth Chalcogenide Borate Eu9–xRExMgS2B20O41 (RE = Sm, Gd) Featuring a 3D {[B20O41]22–}∞ Framework Connected by [B6O9(O0.5)6]6– and [B7O13(O0.5)3]8– Clusters

    Inorganic Chemistry · 2023-05-06

    Nan Zhang, Shanshan Han, Yun Xie, Da-Li Chen, Wen‐Dong Yao, Xiao Fen Huang, Wenlong Liu, Sheng‐Ping Guo

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  19. Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B3O3] Six-Membered Rings as Structural Features

    Inorganic Chemistry · 2023-05-31

    Meng Cheng, Congcong Jin, Wenqi Jin, Xueling Hou

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  20. Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit

    Angewandte Chemie International Edition · 2023-06-29

    Wenlong Xie, Fuming Li, Jianbang Chen, Zhihuang Yang, Guangmao Li, Shilie Pan

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  21. Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit

    Angewandte Chemie · 2023-06-29

    Wenlong Xie, Fuming Li, Jianbang Chen, Zhihuang Yang, Guangmao Li, Shilie Pan

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  22. Ultraviolet Crystal with Strong Optical Nonlinearity by Creating Halogen-Centered Secondary Building Blocks

    Chemistry of Materials · 2023-07-06

    Xuping Shi, Abudukadi Tudi, Minqiang Gai, Zhihua Yang, Shujuan Han, Shilie Pan

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  23. Three Borates Belonging to the A(I)7Ae(II)Re(III)2B15O30 Family as Promising Nonlinear Optical Crystals

    Crystal Growth & Design · 2023-08-21

    Chengfa Wu, Yu Dang, Jianbang Chen, Xueling Hou, Hongsheng Shi

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  24. Pressure driven structural phase transitions and modulations in optical properties of lanthanum nitride: an account from on the fly molecular dynamics and SCF vis-à-vis non-SCF first-principle calculations

    Physica Scripta · 2023-08-25

    Rati Ray Banik, Swarup Ghosh, Joydeep Chowdhury

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  25. Rare-Earth Scandium Borate Fluoride with a Deep-Ultraviolet Cutoff Edge

    Inorganic Chemistry · 2023-09-04

    Qianzhen Zhang, Ran An, Abudukadi Tudi, Zhihua Yang, Xifa Long, Yun Mo Yang

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  26. YSO4F·H2O: A Deep-Ultraviolet Birefringent Rare-Earth Sulfate Fluoride with Enhanced Birefringence Induced by Fluorinated Y-Centered Polyhedra

    Inorganic Chemistry · 2023-10-12

    Dong‐Xue Jiao, Huili Zhang, Xiao-Fei Li, Chao He, Jinhua Li, Qi Wei, Guo‐Yu Yang

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  27. Achieving great optical anisotropy with the well-directed alignment of π-conjugated groups due to hydrogen bonds

    Journal of Saudi Chemical Society · 2023-12-16

    Chenhui Hu, Junjie Liu, Jiale Qu, Jinghui Hu, Xiangzhan Jiang

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  28. A nonlinear optical crystal with deep-ultraviolet transparency and appropriate birefringence achieved using π-conjugated confined [B 3 O 3 F 4 (OH)] 2−

    New Journal of Chemistry · 2024-01-01

    Tao Ouyang, Chen Xu, Shanshan Chen, Yanqiang Li, Xiaoying Shang, Zhiyong Bai, Ningtao Jiang, Zhishuo Yan, Junhua Luo, Sangen Zhao

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  29. Pb 2 Ga 3 F 6 (SeO 3 ) 2 X 3 ·2H 2 O (X = Cl, Br): two new HTO-type members exhibiting large NLO effects mediated by ionic mixing and substitution strategies

    Journal of Materials Chemistry C · 2024-01-01

    Lili Liu, Junbo Wang, Bingchen Xiao, Xunchi Li, Yaoqing Chu, Tongqing Sun, P. Shiv Halasyamani

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  30. Na3K6(CO3)3(NO3)2X·6H2O (X = NO3, Cl, Br): Exploring High-Performance UV Birefringent Crystals Induced by Coplanar π-Conjugated CO3 and NO3 Groups

    Inorganic Chemistry · 2024-04-23

    Wencong Li, Junbo Wang, Lili Liu, Chunmei Huang, Yanyan Ding, Mengmeng Zhu, Jindan Tian, Hai-Xin Qi, Yaoqing Chu, Jiayue Xu

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  31. Deep-Ultraviolet Bialkali–Rare Earth Metal Anhydrous Sulfate Birefringent Crystal

    Inorganic Chemistry · 2024-05-31

    Yunqi Zhao, Yipeng Song, Yanqiang Li, Wei Liu, Zhou Yang, Weiqi Huang, Junhua Luo, Sangen Zhao, Belal Ahmed

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  32. Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units

    Coordination Chemistry Reviews · 2024-07-03

    Bo Zhang, Mao‐Yin Ran, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  33. Hydroflux Synthesis and Structural Phase Transition of Rare‐Earth Borate Hydroxides Na2[RE(BO3)(OH)2] (RE=Y, Gd−Er)

    Chemistry - A European Journal · 2024-08-28

    Yuxi Li, Eduardo Carrillo‐Aravena, Jiang Qu, Gohil Singh Thakur, Michael Ruck

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  34. K3Y3(BO3)4: A Potential UV Nonlinear-Optical Crystal Designed by a Chemical Substitution Strategy

    Inorganic Chemistry · 2024-09-12

    Chao Yang Feng, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  35. Li2NaB3S2O12: A Deep-UV Transparent Borosulfate with Moderate Birefringence Derived from the [B3S2O12]∞ Infinite Chain Designed by the High Boron-to-Sulfur Ratio Strategy

    Inorganic Chemistry · 2024-10-07

    Zichang Wang, Jianyi Zuo, Qing‐Yu Liu, Xueling Hou, Minqiang Gai

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  36. 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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  37. β-LaTeBO 5 and RETeBO 5 (RE = Y, Gd, Tb): explorations of new optical materials in the RE( iii )–Te( iv )–B–O system

    Inorganic Chemistry Frontiers · 2025-01-01

    Pengfei Chen, Chun‐Li Hu, Ming‐Zhi Zhang, Jiang‐Gao Mao

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  38. Size effect of cations in the A2B3O4F3 family: Based on the new member Cs2B3O4F3

    Materials Today Chemistry · 2025-03-06

    Bingliang Cheng, Wenjuan Ma, Abudukadi Tudi, Fangfang Zhang, Xifa Long, Shilie Pan, Yun Mo Yang

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  39. LiAgCe2F10(H2O)2: Focusing on the Cation Size Effect to Reasonably Design a Nonlinear Optical Hydrated Cerium(IV) Fluoride

    Inorganic Chemistry · 2025-03-24

    Wen-Ye Gao, Yi‐Lei Lv, Siyu Ma, Cheng Chen, Wenlong Liu, Ru‐Ling Tang

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  40. Optimizing the Hydrogen-Bond Network Drives Cadmium Ce(IV) Fluoride Hydrate with Significantly Enhanced Optical Anisotropy

    Inorganic Chemistry · 2025-07-25

    Wen-Ye Gao, Siyu Ma, Bing-Wei Miao, Wenfeng Zhou, Wenlong Liu, Ru‐Ling Tang

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  41. Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates

    Coordination Chemistry Reviews · 2025-08-26

    Bailin Chen, Shuai An, Xueling Hou, Shilie Pan

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  42. Enhancement of Birefringence in Alkali Metal Sulfates Induced by Rare Earth Metal-Centered Polyhedra and Structure Regulation via Cations

    Chemistry of Materials · 2025-10-23

    Luyong Zhang, Zhencheng Wu, Jingdong Yan, Shibin Wang, Zilong Chen, Zhihua Yang, Fangfang Zhang, Shilie Pan

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  43. Two scandium borate UV NLO crystals designed through chemical element substitution

    Chemical Communications · 2026-01-01

    Zelong Liu, Huijian Zhao, Longyun Xu, Ning Jia, Ning Ye, Zhanggui Hu, Conggang Li

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

    Angewandte Chemie · 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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  45. 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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  46. Li 6 Lu(BO 3 ) 3 : A Rare-Earth Borate Crystal Exhibiting Large Birefringence and Broad UV Transparency

    Inorganic Chemistry · 2026-02-05

    Mingyue Gu, Xianchao Zhu, Zhanggui Hu, Yicheng Wu, Yongmin Guo

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  47. Ternary Anion‐Engineered Rare Earth Crystals for Broadband UV Transparency and Enhanced Second‐Harmonic Generation

    Chinese Journal of Chemistry · 2026-03-12

    Xiaohui Zhang, Ye Tao, Qianshuang Lu, J. N. Tan, Chenglong Xu, Yingjie Li, Yi Chen, Jianke Pan, F. H. Su, Tingchao He, Haifeng Dong, Heng Wang, Zhi Chen, Xiujun Yu, Xiaopeng Li

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  48. Unlocking Hidden Potential via Reprogrammed Mineral Structures: How Anionic Transformation Achieves Ultraviolet Nonlinear Optical Performance

    Journal of the American Chemical Society · 2026-09-11

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