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RESEARCH PAPER · Inorganic Chemistry · 2011

New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study

Jian‐Han Zhang, Chun‐Li Hu, Xiang Xu, Fang Kong, Jiang‐Gao Mao

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New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical StudyOriginalChemInform Abstract: New Second‐Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study.0Oxo Boron Clusters and Their Open Frameworks128“A” Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)52Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains41New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)50Halide Ion Complexes of Decaborane (B10H14) and Their Derivatives: Noncovalent Charge Transfer Effect on Second-Order Nonlinear Optical Properties63A series of boroselenite-based open frameworks mediated by the cationic sizes of the alkali metals25Crystal structures and second-order NLO properties of borogermanates59UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units97Density functional study of low-lying isomers of SiO4, GeO4 and CO4, and their relation to tetrahedral solid phases1Synthesis, crystal structure and nonlinear optical property of a Zinc(II) complex base on the reduced Schiff-base ligand27Chemistry of Polar Transition-Metal Oxides1New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)29New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F367Syntheses, crystal structures, and characterization of four homochiral coordination polymers based on two chiral reduced Schiff base ligands4Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal139Chiral and Noncentrosymmetric Metal–Organic Frameworks Featuring a 2D → 3D Parallel/Parallel Inclined Subpolycatenation27SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures50Synthesis, X-ray structural characterization, NLO, MEP, NBO and HOMO-LUMO analysis using DFT study of Zn(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate16Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand6Synthesis and Characterization of the New Strontium Borogermanate Sr3–x/2B2–xGe4+xO14 (x = 0.32)16Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework36An non-centrosymmetric mononuclear Zr complex exhibiting UV second-harmonic-generation0Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method50Recent advances on second-order NLO materials based on metal iodates328Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO–LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate11Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se752Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O1016A Series of Aluminoborates Templated or Supported by Zinc–Amine Complexes51A 2 SbB 3 O 8 (A = Na, K, Rb) and β-RbSbB 2 O 6 : two types of alkali boroantimonates with 3D anionic architectures composed of SbO 6 octahedra and borate groups25Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals3Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9(T= Ge, Si)14Synthesis and structural characterization of Ca12Ge17B8O583Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)3 (M = K, Rb, Cs)17Synthesis and structural characterization of BaSr2Ge3O94Two tartratoborates with hybrid anionic groups from unusual condensation reactions9CsBxGe6–xO12 (x = 1): A Zeolite Sodalite-Type Borogermanate with a High Ge/B Ratio by Partial Boron Substitution21A three-dimensional lead borate with a fluorite net constructed from different cluster building units5Centrosymmetric (Hdima)2[Ge5B3O15(OH)] and Noncentrosymmetric Na4Ga3B4O12(OH): Solvothermal/Surfactant-Thermal Synthesis of Open-Framework Borogermanate and Galloborate34CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations58An inorganic-organic hybrid solid with B5O7(OH)3 clusters bridged and decorated by zinc–amine complexes1Ba 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material53Three Cadmium Tartratoborates with Good Second Harmonic Generation (SHG) or Luminescence Performances10Fluoroborophosphates: a family of potential deep ultraviolet NLO materials43K 2 [B 4 O 5 (OH) 4 ]·H 2 O and K 2 [B 4 O 5 (OH) 4 ]: two new hydrated potassium borates with isolated [B 4 O 5 (OH) 4 ] 2− units and different structural frameworks8Structural insights into three phosphates with distinct polyanionic configurations20A new barium-containing alkali metal silicate fluoride NaBa3Si2O7F with deep-UV optical property12Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties20Rb 3 BaTeB 7 O 15 : a novel [B 7 O 16 ] fundamental building block in a new telluroborate with [TeO 3 ] polyhedra11Synthesis, structure, and characterization of RbNdGe2O6 as a novel visible-light-driven catalyst for photodegradation methylene blue5Borates: A Rich Source for Optical Materials1090M3B6O10NO3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures20The First Mixed Calcium Zinc Borate with a Flexible [B8O17] Fundamental Building Block and Short UV Cutoff Edge7K3BaTeB7O15: A new borotellurite with mixed metal cations5Ba 10 LuB 18 O 32 F 13 : the first example of borate in the Lu–B–O–F system with the unprecedented FBB [B 9 O 22 ]12BaSc 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 effect33α-LiMB 9 O 15 (M = Sr, Pb): flexible [B 3 O 7 ] units leading to the low temperature phase of β-LiMB 9 O 15 (M = Sr, Pb)11Rb5Ba2(B10O17)2(BO2): The formation of unusual functional [BO2]− in borates with deep-ultraviolet transmission window62NaBa3[M2B7O16(OH)2]F2 (M = Ge, Si): Two Synthetic F Analogues of Garrelsite with [B7O16(OH)2]13– Polyanions and Deep-Ultraviolet Cutoff Edges8Phonon structure engineering for intrinsically spectrally selective emitters by anion groups0Topologically prone or cation compression restricted phase transition: An example of feldspar-related SrGe2B2O82Mg 2 Pb 2 Si 2 O 7 F 2 : a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge2Li3B8O13X (X = Cl and Br): Two New Noncentrosymmetric Crystals with Large Birefringence Induced by BO3 Units18KCs2[GaB5O10](OH): A Zeolitic Galloborate Framework with a Nonlinear Optical Property13Borosilicate-Based Framework: Synthesis, Single-Crystal Structure Study, and Physical Properties5Chemical substitution towards a rare-earth borate ultraviolet NLO crystal exhibiting a strong SHG response17Phonon Structure Engineering for Intrinsically Spectrally Selective Emitters by Anion Groups0Research on Nonlinear Optical Materials Based on BO 3 and BO 4 Hydroxy Tetraborates4K 3 YGe 3 O 9 : A Rare-Earth Germanate Nonlinear Optical Crystal with a Short Ultraviolet Cutoff Edge and Moderate Second-Harmonic Generation Response1

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  1. ChemInform Abstract: New Second‐Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study.

    ChemInform · 2011-04-07

    Jian‐Han Zhang, Chun‐Li Hu, Xiang Xu, Fang Kong, Jiang‐Gao Mao

    Read original paper ↗ ·

  2. Oxo Boron Clusters and Their Open Frameworks

    European Journal of Inorganic Chemistry · 2011-06-01

    Zhien Lin, Guo‐Yu Yang

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  3. “A” Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)

    Inorganic Chemistry · 2011-07-29

    Jeongho Yeon, Sang-Hwan Kim, Michael A. Hayward, P. Shiv Halasyamani

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  4. Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains

    Inorganic Chemistry · 2011-08-17

    Xinyu Xu, Chun-Li Hu, Fang Kong, J. H. Zhang, Jiang‐Gao Mao

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  5. New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)

    Inorganic Chemistry · 2011-12-06

    Jeongho Yeon, Sang-Hwan Kim, Sau Doan Nguyen, Hana Lee, P. Shiv Halasyamani

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  6. Halide Ion Complexes of Decaborane (B10H14) and Their Derivatives: Noncovalent Charge Transfer Effect on Second-Order Nonlinear Optical Properties

    The Journal of Physical Chemistry A · 2011-12-30

    Shabbir Muhammad, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Ryohei Kishi, Yasuteru Shigeta, Masayoshi Nakano

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  7. A series of boroselenite-based open frameworks mediated by the cationic sizes of the alkali metals

    CrystEngComm · 2012-01-01

    Jian‐Han Zhang, Fang Kong, Bing‐Ping Yang, Jiang‐Gao Mao

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  8. Crystal structures and second-order NLO properties of borogermanates

    Journal of Solid State Chemistry · 2012-01-10

    Jian‐Han Zhang, Fang Kong, Xiang Xu, Jiang‐Gao Mao

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  9. UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units

    Inorganic Chemistry · 2012-01-19

    Li Wang, Shilie Pan, Li‐Xian Chang, Jianyang Hu, Hongwei Yu

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  10. Density functional study of low-lying isomers of SiO4, GeO4 and CO4, and their relation to tetrahedral solid phases

    The European Physical Journal D · 2012-04-01

    I. Cabria, María J. López, Julio Alfonso Alonso, N. H. March

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  11. Synthesis, crystal structure and nonlinear optical property of a Zinc(II) complex base on the reduced Schiff-base ligand

    Inorganic Chemistry Communications · 2012-05-23

    Shao‐Ming Ying

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  12. Chemistry of Polar Transition-Metal Oxides

    Elsevier eBooks · 2013-01-01

    P. Shiv Halasyamani

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  13. New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)

    Journal of Materials Chemistry A · 2013-01-01

    Xiaoyun Fan, Shilie Pan, Jing Kun Guo, Xueling Hou, Jian Wei Han, Fangfang Zhang, Feng Li, Kenneth Reinhard Poeppelmeier

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  14. New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3

    Inorganic Chemistry · 2013-02-08

    T. Thao Tran, P. Shiv Halasyamani

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  15. Syntheses, crystal structures, and characterization of four homochiral coordination polymers based on two chiral reduced Schiff base ligands

    Transition Metal Chemistry · 2013-03-02

    Shao‐Ming Ying, Xiaohui Huang

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  16. Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal

    Inorganic Chemistry · 2013-05-06

    Xiang Xu, Chun‐Li Hu, Fang Kong, Jian‐Han Zhang, Jiang‐Gao Mao, Junliang Sun

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  17. Chiral and Noncentrosymmetric Metal–Organic Frameworks Featuring a 2D → 3D Parallel/Parallel Inclined Subpolycatenation

    Crystal Growth & Design · 2013-07-10

    Xiao-Qiang Yao, Jin‐Song Hu, He‐Gen Zheng, Ling Qin, Yizhi Li, Zijian Guo, He‐Gen Zheng

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  18. SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures

    Inorganic Chemistry · 2013-11-14

    Yucheng Hao, Chun‐Li Hu, Xiang Xu, Fang Kong, Jiang‐Gao Mao

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  19. Synthesis, X-ray structural characterization, NLO, MEP, NBO and HOMO-LUMO analysis using DFT study of Zn(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate

    Heterocyclic Communications · 2014-01-18

    Afşin Ahmet Kaya, Zeynep Demi̇rci̇oğlu, Elif Çelenk Kaya, Orhan Büyükgüngör

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  20. Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand

    Acta Crystallographica Section C Structural Chemistry · 2014-03-25

    Shao‐Ming Ying, Xiaohui Huang, Wu-Kui Luo, Yan-Chun Xiao

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  21. Synthesis and Characterization of the New Strontium Borogermanate Sr3–x/2B2–xGe4+xO14 (x = 0.32)

    Inorganic Chemistry · 2014-08-27

    Benedikt Petermüller, Lucas L. Petschnig, Klaus Wurst, Günter Heymann, Hubert Huppertz

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  22. 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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  23. An non-centrosymmetric mononuclear Zr complex exhibiting UV second-harmonic-generation

    Functional Materials Letters · 2014-12-01

    Cai-Yun Han, Mei Qu, Qin-Qin Dang, Xian‐Ming Zhang

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  24. Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method

    Inorganic Chemistry · 2014-12-01

    Hongping Wu, Hongwei Yu, Qiang Bian, Zhihua Yang, Shujuan Han, Shilie Pan

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  25. Recent advances on second-order NLO materials based on metal iodates

    Coordination Chemistry Reviews · 2015-01-25

    Chun‐Li Hu, Jiang‐Gao Mao

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  26. Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO–LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate

    Molecular Crystals and Liquid Crystals · 2015-03-04

    Elif Çelenk Kaya, Zeynep Demi̇rci̇oğlu, Afşin Ahmet Kaya, Orhan Büyükgüngör

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  27. Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se7

    Inorganic Chemistry · 2015-03-05

    Kui Wu, Xin Su, Shilie Pan, Zhihua Yang

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  28. Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10

    Inorganic Chemistry · 2015-07-21

    Lin Li, Shujuan Han, Bing‐Hua Lei, Xiaoyu Dong, Hongping Wu, Zhongxiang Zhou, Zhihua Yang, Shilie Pan

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  29. A Series of Aluminoborates Templated or Supported by Zinc–Amine Complexes

    Chemistry - A European Journal · 2015-09-04

    Yuan Liu, Rui Pan, Jian‐Wen Cheng, Huan He, Bai‐Feng Yang, Qiang Zhang, Guo‐Yu Yang

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  30. A 2 SbB 3 O 8 (A = Na, K, Rb) and β-RbSbB 2 O 6 : two types of alkali boroantimonates with 3D anionic architectures composed of SbO 6 octahedra and borate groups

    CrystEngComm · 2016-01-01

    Dong Yan, Chun‐Li Hu, Jiang‐Gao Mao

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  31. Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals

    Physical Chemistry Chemical Physics · 2016-01-01

    Linping Li, Zhihua Yang, Bing‐Hua Lei, Qingrong Kong, Ming‐Hsien Lee, Bingbing Zhang, Shilie Pan, Jun Zhang

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  32. Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9(T= Ge, Si)

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016-02-29

    Zhengyang Zhou, Xiang Xu, Rao Fei, Jiang‐Gao Mao, Junliang Sun

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  33. Synthesis and structural characterization of Ca12Ge17B8O58

    Zeitschrift für Naturforschung B · 2016-08-12

    Sebastian Bräuchle, Klaus Wurst, Hubert Huppertz

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  34. Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)3 (M = K, Rb, Cs)

    Journal of Alloys and Compounds · 2016-08-20

    Maierhaba Abudoureheman, Shujuan Han, Xiaoyu Dong, Bing‐Hua Lei, Ying Wang, Zhihua Yang, Xifa Long, Shilie Pan

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  35. Synthesis and structural characterization of BaSr2Ge3O9

    Zeitschrift für Naturforschung B · 2016-10-14

    Sebastian Bräuchle, Clivia Hejny, Hubert Huppertz

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  36. Two tartratoborates with hybrid anionic groups from unusual condensation reactions

    Dalton Transactions · 2017-01-01

    Dong Yan, Fei‐Fei Mao, Tingting Ruan, Jiang‐Gao Mao

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  37. CsBxGe6–xO12 (x = 1): A Zeolite Sodalite-Type Borogermanate with a High Ge/B Ratio by Partial Boron Substitution

    Inorganic Chemistry · 2017-02-20

    Rui Pan, Jian‐Wen Cheng, Bai‐Feng Yang, Guo‐Yu Yang

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  38. A three-dimensional lead borate with a fluorite net constructed from different cluster building units

    Inorganic Chemistry Communications · 2017-10-02

    Yeshuang Zhong, Wei Zhang, Daichuan Ma, Dingguo Xu, Zhien Lin

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  39. Centrosymmetric (Hdima)2[Ge5B3O15(OH)] and Noncentrosymmetric Na4Ga3B4O12(OH): Solvothermal/Surfactant-Thermal Synthesis of Open-Framework Borogermanate and Galloborate

    Inorganic Chemistry · 2017-10-18

    Sujuan Yu, Xiang-Yu Gu, Tingting Deng, Jianhao Huang, Jian‐Wen Cheng, Guo‐Yu Yang

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

    Chemistry of Materials · 2018-03-26

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

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  41. An inorganic-organic hybrid solid with B5O7(OH)3 clusters bridged and decorated by zinc–amine complexes

    Inorganic Chemistry Communications · 2018-08-11

    Qing‐Yu Liu, Xuehua Dong, Guohong Zou, Dingguo Xu, Zhien Lin

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  42. 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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  43. Three Cadmium Tartratoborates with Good Second Harmonic Generation (SHG) or Luminescence Performances

    Inorganic Chemistry · 2018-12-10

    Tingting Ruan, Chun‐Li Hu, Jiang-He Feng, Fei‐Fei Mao, Jiang‐Gao Mao

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  44. 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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  45. K 2 [B 4 O 5 (OH) 4 ]·H 2 O and K 2 [B 4 O 5 (OH) 4 ]: two new hydrated potassium borates with isolated [B 4 O 5 (OH) 4 ] 2− units and different structural frameworks

    New Journal of Chemistry · 2019-01-01

    Tingting Shi, Fangfang Zhang, Abudukadi Tudi, Zhihua Yang, Shilie Pan

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  46. Structural insights into three phosphates with distinct polyanionic configurations

    Dalton Transactions · 2019-01-01

    Jun Sun, Hongping Wu, Miriding Mutailipu, Zhihua Yang, Shilie Pan

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  47. 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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  48. Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties

    Molecules · 2019-07-30

    Yanna Chen, Min Zhang, Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Shilie Pan

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  49. Rb 3 BaTeB 7 O 15 : a novel [B 7 O 16 ] fundamental building block in a new telluroborate with [TeO 3 ] polyhedra

    Dalton Transactions · 2020-01-01

    Jun Sun, Miriding Mutailipu, Shichao Cheng, Zhihua Yang, Shilie Pan

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  50. Synthesis, structure, and characterization of RbNdGe2O6 as a novel visible-light-driven catalyst for photodegradation methylene blue

    Journal of Solid State Chemistry · 2020-02-08

    Jian‐Han Zhang, Xian-Dong Hao, Xin Wang, Zhizhong Su, Ju-Xiang Luo, Hongyan Wu, Fuxing Lin

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