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RESEARCH PAPER · Chemistry of Materials · 2018

CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations

Zhengyang Zhou, Yi Qiu, Fei Liang, Lukáš Palatinus, Morgane Poupon, Tao Yang, Rihong Cong, Zheshuai Lin, Junliang Sun

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CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles CalculationsOriginalBa 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material53A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials98A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy47Ba 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 edge14Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Fluoroborophosphates: a family of potential deep ultraviolet NLO materials43LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44Sr[B(OH) 4 ](IO 3 ) and Li 4 Sr 5 [B 12 O 22 (OH) 4 ](IO 3 ) 2 : two unprecedented metal borate-iodates showing a subtle balance of enlarged band gap and birefringence34KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal314NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates14A new barium-containing alkali metal silicate fluoride NaBa3Si2O7F with deep-UV optical property123D Electron Diffraction: The Nanocrystallography Revolution528Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups45Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions21K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups14Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges26Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]3Syntheses, characterization and calculations of LimAnM6O15 (A=Rb, Cs; M=Si, Ge; m+n=6)18A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47Zn3B7O13Cl: A New Deep-Ultraviolet Transparency Nonlinear Optical Crystal with Boracite Structure24Research progress on the crystal structure determination using electron diffraction0High-temperature, high-pressure hydrothermal synthesis, crystal structure, and solid state NMR spectroscopy of a lead borosilicate with boron–silicon mixing: Pb 6 B 2 Si 8 O 255K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50M3B6O10NO3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures20Vibrational and optical studies of a nonlinear optical crystal, Cs2Bi2O(Ge2O7)3AZn 2 (BO 3 )Si 2 O 5 (A = Rb, Cs): first examples of KBe 2 BO 3 F 2 structure type in the borosilicate family exhibiting a deep-ultraviolet cutoff edge25Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34Ba5Ga2SiO4S6: a Phase-Matching Nonlinear Optical Oxychalcogenide Design via Structural Regulation Originated from Heteroanion Introduction25A Lewis acid–base paired InBO 3 catalyst: synthesis and high selectivity for isopropanol dehydrogenation10Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification28Searching for silicate nonlinear optical materials by combining calculation and experiment17Sr(NO 3 )(NH 2 SO 3 )·H 2 O: First Nitrate Sulfamate Revealing Remarkable Second Harmonic Generation and Optimized Birefringence25Stereochemically Active Lone-Pair Containing Metal Substitution in Polar Axis toward a Giant Phase-Matchable Optical Nonlinear Silicate Crystal Li 3 (OH)PbSiO 463LiASi2O5 (A = K, Rb): Effects of cations on crystal structure and optical properties1(C4H6N3O)(HSO4): A Cytosinium Bisulfate with Large Birefringence and Moderate Second Harmonic Generation Effect Produced via Combining a Promising Planar Nonlinear Optical-Active Motif with a Tetrahedral Group13Study of the Processes of Non-Stoichiometric Compositions Based on CsSiB3O71Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response7Two α‐SiO 2 ‐Related Deep‐Ultraviolet Phase‐Matchable Optical Nonlinear Beryllium Silicate Crystals Na 2 BeSiO 4 and Li 2 BeSiO 4 with Enhanced SHG Effect10pH-Controlled Synthesis of Mercury Cyanamides/Carbodiimides and Piezocatalytic Studies of the Noncentrosymmetric Ones1Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices1Deep-ultraviolet nonlinear-optical crystals LiBePO 4 and BeP 2 O 6 synthesized by ionic potential modulation towards uniform arrangement of PO 4 groups5Accurate dynamical simulation of continuous precession electron diffraction tomography0Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions9KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure13KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure5Zn 4 S(C 2 H 2 N 3 ) 3 (NCS) 3 : Coordination-Driven Structural Distortion Engineering Triggers Exceptional NLO Effect in Mixed-Bonding Zinc Isothiocyanate6Confinement π‐Conjugated Moiety Tailoring to Achieve Record Deep‐UV Nonlinearity in Sulfates0An Ultraviolet Transparent Nonlinear Optical Crystal Assembled from a Polarizable Tetrahedral Unit1Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives5Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives0Synthesis, Crystal Structure, and Characterization of a New Borosilicate: Li 2 Ba 3 Y 3 B 5 SiO 180

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  1. Ba 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material

    Chemical Science · 2018-10-31

    Ru‐Ling Tang, Chun‐Li Hu, Fei‐Fei Mao, Jiang-He Feng, Jiang‐Gao Mao

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  2. A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials

    Journal of Materials Chemistry C · 2019-01-01

    Kaichuang Chen, Yi Jin Yang, Guang Peng, Shunda Yang, Tao Yan, Huixin Fan, Zheshuai Lin, Ning Ye

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  3. A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy

    Dalton Transactions · 2019-01-01

    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Qian Huang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  4. 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

    Inorganic Chemistry Frontiers · 2019-01-01

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

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  5. 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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  6. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

    Acta Physica Sinica · 2019-01-01

    Minqiang Gai, Ying Wang, Shilie Pan

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  7. Fluoroborophosphates: a family of potential deep ultraviolet NLO materials

    Inorganic Chemistry Frontiers · 2019-01-01

    Baolin Wu, Chun‐Li Hu, Ru‐Ling Tang, Fei‐Fei Mao, Jianghe Feng, Jiang‐Gao Mao

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  8. LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates

    Inorganic Chemistry Frontiers · 2019-01-01

    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Wenlong Yin, Tixian Zeng, Bin Kang, Zheshuai Lin, Mingjun Xia

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  9. Sr[B(OH) 4 ](IO 3 ) and Li 4 Sr 5 [B 12 O 22 (OH) 4 ](IO 3 ) 2 : two unprecedented metal borate-iodates showing a subtle balance of enlarged band gap and birefringence

    Chemical Communications · 2019-01-01

    Guang Peng, Chensheng Lin, Dan Zhao, Liling Cao, Huixin Fan, Kaichuang Chen, Ning Ye

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  10. KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal

    Journal of the American Chemical Society · 2019-02-12

    Donghong Lin, Min Luo, Chensheng Lin, Feng Xu, Ning Ye

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  11. NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates

    Inorganic Chemistry · 2019-03-04

    Zhaohong Miao, Yun Mo Yang, Zhonglei Wei, Zhihua Yang, Sujuan Yu, Shilie Pan

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  12. A new barium-containing alkali metal silicate fluoride NaBa3Si2O7F with deep-UV optical property

    Science China Materials · 2019-07-03

    Zhaohong Miao, Yun Mo Yang, Zhonglei Wei, Zhihua Yang, Tushagu Abudouwufu, Shilie Pan

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  13. 3D Electron Diffraction: The Nanocrystallography Revolution

    ACS Central Science · 2019-07-19

    Mauro Gemmi, Enrico Mugnaioli, Tatiana E. Gorelik, Ute Kolb, Lukáš Palatinus, Philippe Boullay, Sven Hovmöller, Jan Pieter Abrahams

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  14. Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response

    Inorganic Chemistry Communications · 2019-07-22

    Meng Wang, Dequan Wei, Lanju Liang, Xin Pei Yan, Kaikai Lv

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  15. Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups

    Inorganic Chemistry · 2019-08-15

    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Tixian Zeng, Zheshuai Lin, Mingjun Xia

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  16. Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions

    Dalton Transactions · 2019-10-27

    Ru‐Ling Tang, Chun‐Li Hu, Jianghe Feng, Zhi Gang Fang, Yan Chen, Fang Kong, Jiang‐Gao Mao

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  17. K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups

    Dalton Transactions · 2020-01-01

    Wenyao Zhang, Wenqi Jin, Zhihua Yang, Shilie Pan

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  18. Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges

    Dalton Transactions · 2020-01-01

    Wenyao Zhang, Zhonglei Wei, Zhihua Yang, Shilie Pan

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  19. Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)3

    European Journal of Inorganic Chemistry · 2020-02-24

    Yaoguo Shen, Xiaoling Xue, Wenyuan Tu, Zhiqun Liu, Renwen Yan, Hong Zhang, Junrong Jia

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  20. Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate

    Inorganic Chemistry Communications · 2020-03-20

    Yaoguo Shen, Xiaoling Xue, Renwen Yan, Hong Lin

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  21. Flux synthesis and characterization of two barium hydroxyborosilicates with triple and single tetrahedral layers: Ba2[Si3B3O12(OH)] and Ba[Si2BO6(OH)]

    Journal of Solid State Chemistry · 2020-03-24

    Ling-Wei Chang, Hsin‐Kuan Liu, Kwang‐Hwa Lii

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  22. Syntheses, characterization and calculations of LimAnM6O15 (A=Rb, Cs; M=Si, Ge; m+n=6)

    Science China Materials · 2020-05-15

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  23. A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy

    Inorganic Chemistry · 2020-06-28

    Xia Hao, Min Luo, Chensheng Lin, Guang Peng, Tao Yan, Donghong Lin, Liling Cao, Xifa Long, Guangsai Yang, Ning Ye

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  24. Zn3B7O13Cl: A New Deep-Ultraviolet Transparency Nonlinear Optical Crystal with Boracite Structure

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  25. Research progress on the crystal structure determination using electron diffraction

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  26. High-temperature, high-pressure hydrothermal synthesis, crystal structure, and solid state NMR spectroscopy of a lead borosilicate with boron–silicon mixing: Pb 6 B 2 Si 8 O 25

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  27. K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence

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  28. M3B6O10NO3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures

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  29. Vibrational and optical studies of a nonlinear optical crystal, Cs2Bi2O(Ge2O7)

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2021-04-20

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  30. AZn 2 (BO 3 )Si 2 O 5 (A = Rb, Cs): first examples of KBe 2 BO 3 F 2 structure type in the borosilicate family exhibiting a deep-ultraviolet cutoff edge

    Journal of Materials Chemistry C · 2021-12-24

    Tuohetijiang Baiheti, Abudukadi Tudi, Jian Wei Han, Zhihua Yang, Shilie Pan

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  31. Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials

    Chemistry of Materials · 2021-12-29

    Weiqi Huang, Sangen Zhao, Junhua Luo

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  32. Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery

    Light Science & Applications · 2022-07-01

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  33. 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

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  34. Ba5Ga2SiO4S6: a Phase-Matching Nonlinear Optical Oxychalcogenide Design via Structural Regulation Originated from Heteroanion Introduction

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  35. A Lewis acid–base paired InBO 3 catalyst: synthesis and high selectivity for isopropanol dehydrogenation

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  36. Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification

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  37. Searching for silicate nonlinear optical materials by combining calculation and experiment

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  38. Sr(NO 3 )(NH 2 SO 3 )·H 2 O: First Nitrate Sulfamate Revealing Remarkable Second Harmonic Generation and Optimized Birefringence

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  39. Stereochemically Active Lone-Pair Containing Metal Substitution in Polar Axis toward a Giant Phase-Matchable Optical Nonlinear Silicate Crystal Li 3 (OH)PbSiO 4

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  40. LiASi2O5 (A = K, Rb): Effects of cations on crystal structure and optical properties

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  41. (C4H6N3O)(HSO4): A Cytosinium Bisulfate with Large Birefringence and Moderate Second Harmonic Generation Effect Produced via Combining a Promising Planar Nonlinear Optical-Active Motif with a Tetrahedral Group

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  42. Study of the Processes of Non-Stoichiometric Compositions Based on CsSiB3O7

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  43. Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response

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  44. Two α‐SiO 2 ‐Related Deep‐Ultraviolet Phase‐Matchable Optical Nonlinear Beryllium Silicate Crystals Na 2 BeSiO 4 and Li 2 BeSiO 4 with Enhanced SHG Effect

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  45. pH-Controlled Synthesis of Mercury Cyanamides/Carbodiimides and Piezocatalytic Studies of the Noncentrosymmetric Ones

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  46. Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices

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

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  48. Accurate dynamical simulation of continuous precession electron diffraction tomography

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

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  50. Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions

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