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RESEARCH PAPER · Chemistry of Materials · 2016

BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching Wavelength

Shu Hai Guo, Xingxing Jiang, Lijuan Liu, Mingjun Xia, Zhi Gang Fang, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching WavelengthOriginalLiSr 3 Be 3 B 3 O 9 F 4 : a new ultraviolet nonlinear optical crystal for fourth-harmonic generation of Nd:YAG lasers19Borate-Based Ultraviolet and Deep-Ultraviolet Nonlinear Optical Crystals58Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1233Structural Design of Two Fluorine–Beryllium Borates BaMBe2(BO3)2F2 (M = Mg, Ca) Containing Flexible Two-Dimensional [Be3B3O6F3]∞ Single Layers without Structural Instability Problems14Two KBBF-Type Beryllium Borates MBe2B2O6 (M = Sr, Ba) with a Three-Dimensional (Be2B2O6)∞ Network8Li7(TeO3)3F: A Lithium Fluoride Tellurite with Large Second Harmonic Generation Responses and a Short Ultraviolet Cutoff Edge39K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31A cation size effect on the framework structures in ABi 2 SeO 3 F 5 (A = K and Rb): first examples of alkali metal bismuth selenite fluorides14Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers6A Series of Rare-Earth Borates K 7 MRE 2 B 15 O 30 (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses103M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials356Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals257The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups195Computer-Assisted Design of a Superior Be 2 BO 3 F Deep-Ultraviolet Nonlinear-Optical Material41BaLiZn3B3O9: a Mixed‐Cation KBe2BO3F2‐Type Zinc‐Borate with a (LiZn3B3O9)∞ Network9Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates265Second-order nonlinear optical crystals with mixed anions250Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability46Mg 3 B 7 O 13 Cl: A New Quasi‐Phase Matching Crystal in the Deep‐Ultraviolet Region56Na4Yb(CO3)3F: A New UV Nonlinear Optical Material with a Large Second Harmonic Generation Response8Na 3 B 7 O 11 F 2 : a new sodium-rich fluorooxoborate with a unique [B 14 O 24 F 4 ] ring and a short ultraviolet absorption edge27Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge19Ca 2 GeB 2 O 7 and Ca 1.78 Cd 0.22 GeB 2 O 7 : two acentric borogermanates with a melilite-like structure and short ultraviolet cutoff edge14K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block18Deep-ultraviolet nonlinear optical crystal NaBe2BO3F2—Structure, growth and optical properties25β‐CsB9O14: A Triple‐Layered Borate with Edge‐Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence30Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Nonlinear Optical Crystals for Second Harmonic Generation19Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows46Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Enhanced nonlinear optical functionality in birefringence and refractive index dispersion of the deep-ultraviolet fluorooxoborates123Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31Cs 2 AlB 5 O 10 : a short-wavelength nonlinear optical crystal with moderate second harmonic generation response12Borates: A Rich Source for Optical Materials1089Ba 3 [Al(PO 4 ) 3 ]: rational design of a promising deep-UV transparent SHG crystal with balanced overall performance originating from the condensation of quartz-type [Al(PO 4 ) 4 ] 9− units16Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Recent advances of oxyfluorides for nonlinear optical applications69A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations71A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations13Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application167Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application18A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**175A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**27Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material44Enhanced Interlayer Interaction and Second-Harmonic-Generation Response in a KBe 2 BO 3 F 2 -Type Inorganic–Organic Hybrid Zinc Borate33From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34Decentering the Symmetry via Docking B and F in the KBe2BO3F2-Family Structure0CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalization25The 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)47Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials18Recent 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 Birefringence6Cs2Pb4Br10: A layered perovskite shows large birefringence11A deep-ultraviolet nonlinear-optical material with a wide bandgap and large static dielectric polarizability coefficient: Na 6 Si 3 F 181Exploring a new short-wavelength nonlinear optical fluoride material featuring unprecedented polar cis -[Zr 6 F 34 ] 10− clusters48Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Synthesis, structures and properties of two new nitrate optical materials: Rb3ZnNO3Cl4 and Rb5Na(NO3)4Cl24Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80The local state of hydrogen atoms and proton transfer in the crystal structure of natural berborite, Be2(BO3)(OH)‧H2O: Low-temperature single crystal X-ray analysis, IR and 1H NMR spectroscopy, and crystal chemistry and structural complexity of beryllium borates8A perspective on deep-ultraviolet nonlinear optical materials13Two Short-Wave UV Beryllium Selenites Exhibiting Diverse Optical Properties Stemming from Functional Group Arrangements8Learning From Nature: The Rational Non‐Centrosymmetric Structural Design in the Honeycomb‐Like Gaudefroyite Family23Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109(C 3 H 5 N 2 ) 3 [Be 2 F 7 ]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be 2 F 7 ] 3− anions2A wide band gap selenohalide Cs 9 Si 8 Se 20 Cl with unprecedented [CsSe 7 Cl] mixed anionic units2混合阴离子无水无机硼酸盐深紫外非线性光学晶体的研究进展（特邀）4Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20CsB(OH) 4 (H 2 O) 2 and Na(NH 4 ) 2 B 10 O 16 OH(H 2 O): a hydroxylation modification strategy regulates the borate structures and optical properties0Functional Unit Design of Deep‐UV NLO Crystals With Short Phase‐Matching and Large SHG Response22Reverse Weak Polarity‐Induced Ordered Layer Control for Enhanced Second‐Harmonic Generation in Ultraviolet Nonlinear Optical Crystals2Topological structural chemistry of fluorooxoborates: From fundamental building blocks to macroscopic optical performance regulation0Toward the vacuum-ultraviolet frontier in nonlinear optical frequency conversion: phase-matching mechanisms across dimensions and architectures2K3Sr3Li2Ga4B6O20F: A Sr2Be2B2O7-Type Ultraviolet Nonlinear Optical Crystal0

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  1. LiSr 3 Be 3 B 3 O 9 F 4 : a new ultraviolet nonlinear optical crystal for fourth-harmonic generation of Nd:YAG lasers

    New Journal of Chemistry · 2017-01-01

    Shu Hai Guo, Fei Liang, Lijuan Liu, Mingjun Xia, Zhi Gang Fang, Ruofei Wu, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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  2. Borate-Based Ultraviolet and Deep-Ultraviolet Nonlinear Optical Crystals

    Crystals · 2017-03-25

    Yi Jin Yang, Xingxing Jiang, Zheshuai Lin, Yicheng Wu

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  3. Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F

    Journal of the American Chemical Society · 2017-07-20

    Guoqiang Q. Shi, Ying Wang, Fangfang Zhang, Bingbing Zhang, Zhihua Yang, Xueling Hou, Shilie Pan, Kenneth Reinhard Poeppelmeier

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  4. Structural Design of Two Fluorine–Beryllium Borates BaMBe2(BO3)2F2 (M = Mg, Ca) Containing Flexible Two-Dimensional [Be3B3O6F3]∞ Single Layers without Structural Instability Problems

    Inorganic Chemistry · 2017-09-08

    Shu Hai Guo, Xingxing Jiang, Mingjun Xia, Lijuan Liu, Zhi Gang Fang, Qian Huang, Ruofei Wu, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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  5. Two KBBF-Type Beryllium Borates MBe2B2O6 (M = Sr, Ba) with a Three-Dimensional (Be2B2O6)∞ Network

    Inorganic Chemistry · 2017-09-25

    Zhi Gang Fang, Fei Liang, Mingjun Xia, Lijuan Liu, Qian Huang, Shu Hai Guo, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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  6. Li7(TeO3)3F: A Lithium Fluoride Tellurite with Large Second Harmonic Generation Responses and a Short Ultraviolet Cutoff Edge

    Inorganic Chemistry · 2017-11-13

    Jiang-He Feng, Chun‐Li Hu, Houping Xia, Fang Kong, Jiang‐Gao Mao

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  7. K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups

    Journal of Alloys and Compounds · 2017-11-16

    Qian Wang, Chensheng Lin, Guohong Zou, Mengjiao Liu, Daojiang Gao, Jian Bi, Ling Huang

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  8. A cation size effect on the framework structures in ABi 2 SeO 3 F 5 (A = K and Rb): first examples of alkali metal bismuth selenite fluorides

    Dalton Transactions · 2018-01-01

    Shuangshuang Shi, Min Luo, Chensheng Lin, Ning Ye

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  9. Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers

    Journal of Alloys and Compounds · 2018-02-22

    Chen Zhou, Hui Zhang, Jianian Cheng, Hongyi Li, Sadeh Beysen

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  10. A Series of Rare-Earth Borates K 7 MRE 2 B 15 O 30 (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses

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    Zhiqing Xie, Miriding Mutailipu, Guijie He, Guopeng Han, Ying Wang, Zhihua Yang, Min Zhang, Shilie Pan

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  11. M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials

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    Min Luo, Fei Liang, Yunxia Song, Dan Zhao, Feng Xu, Ning Ye, Zheshuai Lin

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  12. Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals

    Coordination Chemistry Reviews · 2018-03-15

    Chao Wu, Gang Yang, Mark Graeme Humphrey, Chi Zhang

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  13. The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups

    Coordination Chemistry Reviews · 2018-04-06

    Yaoguo Shen, Sangen Zhao, Junhua Luo

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  14. Computer-Assisted Design of a Superior Be 2 BO 3 F Deep-Ultraviolet Nonlinear-Optical Material

    Inorganic Chemistry · 2018-04-27

    Qiang Bian, Zhihua Yang, Yanchao Wang, Miriding Mutailipu, Yanming Ma, Shilie Pan

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  15. BaLiZn3B3O9: a Mixed‐Cation KBe2BO3F2‐Type Zinc‐Borate with a (LiZn3B3O9)∞ Network

    European Journal of Inorganic Chemistry · 2018-06-20

    Meihong Duan, Mingjun Xia, Rukang K. Li

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  16. Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates

    Chemistry of Materials · 2018-07-17

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  17. Second-order nonlinear optical crystals with mixed anions

    Coordination Chemistry Reviews · 2018-08-06

    Yu Pan, Sheng‐Ping Guo, Bin‐Wen Liu, Huaiguo Xue, Guo‐Cong Guo

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  18. Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability

    Inorganic Chemistry · 2018-08-15

    Lei Kang, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  19. Mg 3 B 7 O 13 Cl: A New Quasi‐Phase Matching Crystal in the Deep‐Ultraviolet Region

    Advanced Functional Materials · 2018-08-24

    Zujian Wang, Huimin Qiao, Rongbing Su, Bing Hu, Xiaoming Yang, Chao He, Xifa Long

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  20. Na4Yb(CO3)3F: A New UV Nonlinear Optical Material with a Large Second Harmonic Generation Response

    Crystals · 2018-09-30

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  21. Na 3 B 7 O 11 F 2 : a new sodium-rich fluorooxoborate with a unique [B 14 O 24 F 4 ] ring and a short ultraviolet absorption edge

    Dalton Transactions · 2018-10-18

    Changcheng Tang, Xingxing Jiang, Wenlong Yin, Lijuan Liu, Mingjun Xia, Qian Huang, Gaomin Song, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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  22. Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge

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    Zixiu Lu, Fangfang Zhang, Abudukadi Tudi, Sujuan Yu, Zhihua Yang, Shilie Pan

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  23. Ca 2 GeB 2 O 7 and Ca 1.78 Cd 0.22 GeB 2 O 7 : two acentric borogermanates with a melilite-like structure and short ultraviolet cutoff edge

    Inorganic Chemistry Frontiers · 2019-01-01

    Ru‐Ling Tang, Chun‐Li Hu, Baolin Wu, Yan Chen, Jiang‐Gao Mao

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  24. K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal

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  25. Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block

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  26. Deep-ultraviolet nonlinear optical crystal NaBe2BO3F2—Structure, growth and optical properties

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  27. β‐CsB9O14: A Triple‐Layered Borate with Edge‐Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence

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  28. Nitrate nonlinear optical crystals: A survey on structure-performance relationships

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  29. Nonlinear Optical Crystals for Second Harmonic Generation

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  30. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

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  31. Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich

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  32. Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect

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  33. Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows

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  34. Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles

    Coordination Chemistry Reviews · 2020-01-10

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  35. Enhanced nonlinear optical functionality in birefringence and refractive index dispersion of the deep-ultraviolet fluorooxoborates

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  36. Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles

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  37. Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge

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  38. Cs 2 AlB 5 O 10 : a short-wavelength nonlinear optical crystal with moderate second harmonic generation response

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  39. Borates: A Rich Source for Optical Materials

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  40. Ba 3 [Al(PO 4 ) 3 ]: rational design of a promising deep-UV transparent SHG crystal with balanced overall performance originating from the condensation of quartz-type [Al(PO 4 ) 4 ] 9− units

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  41. Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials

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  42. Recent advances of oxyfluorides for nonlinear optical applications

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  43. A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations

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  44. A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations

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  45. Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application

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  46. Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application

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  47. A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**

    Angewandte Chemie International Edition · 2021-09-16

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  48. A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**

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

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  50. Enhanced Interlayer Interaction and Second-Harmonic-Generation Response in a KBe 2 BO 3 F 2 -Type Inorganic–Organic Hybrid Zinc Borate

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