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RESEARCH PAPER · Crystal Growth & Design · 2014

Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation Property

Shujuan Han, Ying Wang, Shilie Pan, Xiaoyu Dong, Hongping Wu, Jian Wei Han, Yun Mo Yang, Hongwei Yu, Chunyan Bai

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Noncentrosymmetric versus Centrosymmetric: Influence of the Na+ Substitution on Structural Transition and Second-Harmonic Generation PropertyOriginalEffect of polarizable lone pair cations on the second-harmonic generation (SHG) properties of noncentrosymmetric (NCS) Bi 2−x Y x TeO 5 (x = 0–0.2)24Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials87Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework36Effect of cation substitution on structural transition: synthesis, characterization and theoretical studies of NaCa 4 B 3 O 9 , NaCaBO 3 , NaSrBO 3 and Li 4 CaB 2 O 618Effect of the cation size on the framework structures of magnesium tungstate, A 4 Mg(WO 4 ) 3 (A = Na, K), R 2 Mg 2 (WO 4 ) 3 (R = Rb, Cs)31Na 3 B 4 O 7 X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa 6 octahedra13Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb 2+ and (BO 3 ) 3−23Second-harmonic generation (SHG) and photoluminescence properties of noncentrosymmetric (NCS) layered perovskite solid solutions, CsBi 1−x Eu x Nb 2 O 7 (x = 0, 0.1, and 0.2)30Syntheses, crystal structures and physical properties of three new chalcogenides: NaGaGe 3 Se 8 , K 3 Ga 3 Ge 7 S 20 , and K 3 Ga 3 Ge 7 Se 2018Recent development of metal borate halides: Crystal chemistry and application in second-order NLO materials340“XA 6 ” octahedra influencing the arrangement of anionic groups and optical properties in inverse-perovskite [B 6 O 10 ]XA 3 (X = Cl, Br; A = alkali metal)19Chemical engineering of mixed halide hexaborates as nonlinear optical materials5New fluoroborate Cd 8 B 5 O 15 F with two different isolated borate anions prepared by an open high-temperature solution method7Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)11Nonlinear optical (NLO) properties and temperature-dependent photoluminescence in activator-doped noncentrosymmetric (NCS) bismuth tellurite solid solutions, Bi2−Ln TeO5 (Ln = Ce and Eu)8A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3 Groups49Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures601The enhancement of birefringence resulted from anionic dimensionality changes through adjusting cationic density14Two Zeolitic Open-Framework Aluminoborates Directed by Similar Zn-Complexes23Enhancement of nonlinear optical and temperature dependent dielectric properties of Ce:BaTiO3nano and submicron particles9Multifunctional Bi2O2(OH)(NO3) Nanosheets with {001} Active Exposing Facets: Efficient Photocatalysis, Dye-Sensitization, and Piezoelectric-Catalysis139Charge transfer from internal electrostatic fields is superior to surface defects for 2,4-dichlorophenol degradation in K 3−x Na x B 6 O 10 Br photocatalysts16Four alkali metal molybdates with two types of Mo–O chains, ABMo 3 O 10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties10A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge27Synthesis, second-harmonic generation (SHG), and photoluminescence (PL) properties of noncentrosymmetric bismuth selenite solid solutions, Bi 2-x Ln x SeO 5 (Ln = La and Eu; x = 0–0.3)2Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals257Effect of pressure on the elastic properties and optoelectronic behavior of Zn 4 B 6 O 13 : First-principles investigation8From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry33Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn)32Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties24Four new deep ultraviolet borates with isolated B12O24 groups: Synthesis, structure, and optical properties9Crystal structure and second harmonic generation in Bi2TeO5: An X-N study from synchrotron and neutron diffraction data8Continuous tunable cavity Fabry–Perot interferometer by using potassium dideuterium phosphate with two ring electrodes5Average Structure, Local Structure, Photoluminescence, and NLO Properties of Scheelite Type NaCe(WO4)215Borates: A Rich Source for Optical Materials1089Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Na 2 La 2 B 10 O 19 : a new lanthanum sodium borate with infinite 2D layer 2∞[B 10 O 19 ] 8− and moderate birefringence4Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges6NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate7An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25Coordination-Directed Structural Modulation and Design of Deep-Ultraviolet Nonlinear Optical Materials4Li 6.58 Na 7.43 Sr 4 (B 9 O 18 )(B 12 O 24 )Cl: unprecedented combination of the largest two highly polymerized isolated B–O clusters with novel isolated B 9 O 18 FBB18Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide15Sn3B10O17Cl2 Achieving Birefringence Enhancement by Stereochemical Activity Lone Pair9Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains5Ultraviolet Crystal with Strong Optical Nonlinearity by Creating Halogen-Centered Secondary Building Blocks15Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties11A novel contribution to the M3B6O10X hexaborate family: The new silver compound Ag3B6O10Br and thermal behavior of Ag3B6O10(NO3) and Na3B6O10I9A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates18Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153

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  1. Effect of polarizable lone pair cations on the second-harmonic generation (SHG) properties of noncentrosymmetric (NCS) Bi 2−x Y x TeO 5 (x = 0–0.2)

    Dalton Transactions · 2014-05-09

    Hongil Jo, Yeong Hun Kim, Dong Woo Lee, Kang Min Ok

    Read original paper ↗ ·

  2. Microscopic Origins of Optical Second Harmonic Generation in Noncentrosymmetric–Nonpolar Materials

    Chemistry of Materials · 2014-09-19

    Antonio Cammarata, Weiguo Zhang, P. Shiv Halasyamani, James M. Rondinelli

    Read original paper ↗ ·

  3. Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework

    Inorganic Chemistry · 2014-09-26

    Chunyan Bai, Hongwei Yu, Shujuan Han, Shilie Pan, Bingbing Zhang, Ying Wang, Hongping Wu, Zhihua Yang

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  4. Effect of cation substitution on structural transition: synthesis, characterization and theoretical studies of NaCa 4 B 3 O 9 , NaCaBO 3 , NaSrBO 3 and Li 4 CaB 2 O 6

    Physical Chemistry Chemical Physics · 2015-01-01

    Yun Mo Yang, Xin Su, Shilie Pan, Zhihua Yang

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  5. Effect of the cation size on the framework structures of magnesium tungstate, A 4 Mg(WO 4 ) 3 (A = Na, K), R 2 Mg 2 (WO 4 ) 3 (R = Rb, Cs)

    Dalton Transactions · 2015-01-01

    Shujuan Han, Ying Wang, Qun Jing, Hongping Wu, Shilie Pan, Zhihua Yang

    Read original paper ↗ ·

  6. Na 3 B 4 O 7 X (X = Cl, Br): two new borate halides with a 1D Na-X (X = Cl, Br) chain formed by the face-sharing XNa 6 octahedra

    RSC Advances · 2015-01-01

    Chunyan Bai, Shujuan Han, Shilie Pan, Bingbing Zhang, Yun Mo Yang, Lin Li, Zhihua Yang

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  7. Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb 2+ and (BO 3 ) 3−

    Dalton Transactions · 2015-01-01

    Lu Liu, Bingbing Zhang, Fangfang Zhang, Fangfang Zhang, Shilie Pan, Fangyuan Zhang, Fangyuan Zhang, Xingwen Zhang, Xiaoyu Dong, Zhihua Yang

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  8. Second-harmonic generation (SHG) and photoluminescence properties of noncentrosymmetric (NCS) layered perovskite solid solutions, CsBi 1−x Eu x Nb 2 O 7 (x = 0, 0.1, and 0.2)

    Journal of Materials Chemistry C · 2015-01-01

    Hyung Gu Kim, Jae Soo Yoo, Kang Min Ok

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  9. Syntheses, crystal structures and physical properties of three new chalcogenides: NaGaGe 3 Se 8 , K 3 Ga 3 Ge 7 S 20 , and K 3 Ga 3 Ge 7 Se 20

    Dalton Transactions · 2015-11-09

    Xiaoshuang Li, Chao Li, Pifu Gong, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  10. Recent development of metal borate halides: Crystal chemistry and application in second-order NLO materials

    Coordination Chemistry Reviews · 2015-12-30

    Ying Wang, Shilie Pan

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  11. “XA 6 ” octahedra influencing the arrangement of anionic groups and optical properties in inverse-perovskite [B 6 O 10 ]XA 3 (X = Cl, Br; A = alkali metal)

    Physical Chemistry Chemical Physics · 2016-01-01

    Zhihua Yang, Bing‐Hua Lei, Bin Yang, Shilie Pan

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  12. Chemical engineering of mixed halide hexaborates as nonlinear optical materials

    RSC Advances · 2016-01-01

    Mingjun Xia, Zhanyu Hou, Yi Jin Yang, Bo Xu, Lijuan Liu, Xiaoyang Wang, Zheshuai Lin, Rukang K. Li, Chuangtian Chen

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  13. New fluoroborate Cd 8 B 5 O 15 F with two different isolated borate anions prepared by an open high-temperature solution method

    Dalton Transactions · 2016-01-01

    Yun Mo Yang, Xiaoyu Dong, Shilie Pan

    Read original paper ↗ ·

  14. Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)

    Journal of Solid State Chemistry · 2016-01-16

    Shujuan Han, Chunyan Bai, Bingbing Zhang, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  15. Nonlinear optical (NLO) properties and temperature-dependent photoluminescence in activator-doped noncentrosymmetric (NCS) bismuth tellurite solid solutions, Bi2−Ln TeO5 (Ln = Ce and Eu)

    Journal of Alloys and Compounds · 2016-02-24

    Hongil Jo, Jae Soo Yoo, Kang Min Ok

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  16. A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3 Groups

    Chemistry of Materials · 2016-06-02

    Na Yu, Shichao Wang, Ning Ye, Fei Liang, Zheshuai Lin, Min Luo, Kenneth Reinhard Poeppelmeier

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  17. Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

    Accounts of Chemical Research · 2016-11-14

    Kang Min Ok

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  18. The enhancement of birefringence resulted from anionic dimensionality changes through adjusting cationic density

    Journal of Alloys and Compounds · 2017-05-11

    Lili Liu, Yun Mo Yang, Zhihua Yang, Shilie Pan

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  19. Two Zeolitic Open-Framework Aluminoborates Directed by Similar Zn-Complexes

    Inorganic Chemistry · 2017-05-19

    Qi Wei, Jiajia Wang, Jie Zhang, Guo‐Yu Yang

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  20. Enhancement of nonlinear optical and temperature dependent dielectric properties of Ce:BaTiO3nano and submicron particles

    Materials Research Express · 2017-08-16

    P. Senthilkumar, Sivasubramanian Dhanuskodi, Anitta Rose Thomas, Reji Philip

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  21. Multifunctional Bi2O2(OH)(NO3) Nanosheets with {001} Active Exposing Facets: Efficient Photocatalysis, Dye-Sensitization, and Piezoelectric-Catalysis

    ACS Sustainable Chemistry & Engineering · 2017-12-21

    Lin Hao, Hongwei Huang, Yuxi Guo, Yihe Zhang

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  22. Charge transfer from internal electrostatic fields is superior to surface defects for 2,4-dichlorophenol degradation in K 3−x Na x B 6 O 10 Br photocatalysts

    Nanoscale · 2018-01-01

    Xiaoyun Fan, Yang Zhang, Kangdi Zhong

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  23. Four alkali metal molybdates with two types of Mo–O chains, ABMo 3 O 10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties

    New Journal of Chemistry · 2018-01-01

    Shujuan Han, Bingbing Zhang, Tinghao Tong, Zhihua Yang, Shilie Pan

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  24. A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge

    Inorganic Chemistry · 2018-01-02

    Shujuan Han, Ying Wang, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  25. Synthesis, second-harmonic generation (SHG), and photoluminescence (PL) properties of noncentrosymmetric bismuth selenite solid solutions, Bi 2-x Ln x SeO 5 (Ln = La and Eu; x = 0–0.3)

    Solid State Sciences · 2018-01-03

    Hai-Xin Qi, Hongil Jo, Seung‐Jin Oh, Kang Min Ok

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  26. 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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  27. Effect of pressure on the elastic properties and optoelectronic behavior of Zn 4 B 6 O 13 : First-principles investigation

    Chinese Physics B · 2018-05-01

    Pei-Da Wang, Zhenyuan Jia, Yu-Han Zhong, Huayue Mei, Chunmei Li, Nanpu Cheng

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  28. From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry

    Chemistry - A European Journal · 2018-06-04

    Shujuan Han, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  29. Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn)

    Inorganic Chemistry · 2018-08-24

    Yu Chu, Kui Wu, Xin Su, Jian Wei Han, Zhihua Yang, Shilie Pan

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  30. Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties

    Inorganic Chemistry · 2019-02-13

    Qi Wei, Chao He, Bang‐Di Ge, Meng-Xin Wan, Li Wei, Guo‐Ming Wang

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  31. Four new deep ultraviolet borates with isolated B12O24 groups: Synthesis, structure, and optical properties

    Journal of Solid State Chemistry · 2019-02-28

    Tuohetijiang Baiheti, Shujuan Han, B. Bashir, Zhihua Yang, Y. Wang, Hongwei Yu, Shilie Pan

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  32. Crystal structure and second harmonic generation in Bi2TeO5: An X-N study from synchrotron and neutron diffraction data

    Journal of Solid State Chemistry · 2019-04-29

    Carlos Alberto López, E. Bâati, María Teresa Fernández-Díaz, Felix O. Saouma, Joon Ik Jang, J. A. Alonso

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  33. Continuous tunable cavity Fabry–Perot interferometer by using potassium dideuterium phosphate with two ring electrodes

    Applied Optics · 2019-05-28

    Jun Wang, Meng Qing Yuan, Ning Chen, Tiantian He, Jingjing Liu, Qing Yan, Tingyao He, Li Wang, Wenhui Xin, Dengxin Hua

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  34. Average Structure, Local Structure, Photoluminescence, and NLO Properties of Scheelite Type NaCe(WO4)2

    Crystal Growth & Design · 2019-09-09

    Archana K. Munirathnappa, Jöerg C. Neuefeind, Premakumar Yanda, Athinarayanan Sundaresan, Ivan V. Kityk, Katarzyna Ozga, Jarosław Jedryka, P. Poornesh, Ashok Rao, Nalini G. Sundaram

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  35. Borates: A Rich Source for Optical Materials

    Chemical Reviews · 2020-12-14

    Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Shilie Pan

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

    Materials Chemistry Frontiers · 2021-01-01

    Zhihua Yang, Shilie Pan

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  37. Na 2 La 2 B 10 O 19 : a new lanthanum sodium borate with infinite 2D layer 2∞[B 10 O 19 ] 8− and moderate birefringence

    New Journal of Chemistry · 2021-01-01

    Chengfa Wu, Junwei Feng, Feng Yu

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  38. Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges

    New Journal of Chemistry · 2021-01-01

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  39. NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate

    Chemistry - An Asian Journal · 2021-08-20

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  40. An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals

    ChemistrySelect · 2021-10-18

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  41. Coordination-Directed Structural Modulation and Design of Deep-Ultraviolet Nonlinear Optical Materials

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  42. Li 6.58 Na 7.43 Sr 4 (B 9 O 18 )(B 12 O 24 )Cl: unprecedented combination of the largest two highly polymerized isolated B–O clusters with novel isolated B 9 O 18 FBB

    Inorganic Chemistry Frontiers · 2022-01-01

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  43. Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide

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  44. Sn3B10O17Cl2 Achieving Birefringence Enhancement by Stereochemical Activity Lone Pair

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  45. Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains

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

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  47. Heteroanionic LaBrVIO4 (VI = Mo, W): Excellence in Both Nonlinear Optical Properties and Photoluminescent Properties

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  48. A novel contribution to the M3B6O10X hexaborate family: The new silver compound Ag3B6O10Br and thermal behavior of Ag3B6O10(NO3) and Na3B6O10I

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  49. A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates

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  50. Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates

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