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RESEARCH PAPER · Advanced Optical Materials · 2017

The Next‐Generation of Nonlinear Optical Materials: Rb3Ba3Li2Al4B6O20F—Synthesis, Characterization, and Crystal Growth

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The Next‐Generation of Nonlinear Optical Materials: Rb3Ba3Li2Al4B6O20F—Synthesis, Characterization, and Crystal GrowthOriginalK2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31BaBOF 3 : a new aurivillius-like borate containing two types of F atoms32BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance16Ion-induced structural and optical performance evolution in LBO-like crystals: experimental and theoretical investigation13Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials237Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials24M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials356CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations58The role of cations in second-order nonlinear optical materials based on π-conjugated [BO 3 ] 3− groups195Deep‐Ultraviolet Nonlinear Optical Crystal Cs2Al2(B3O6)2O: A Benign Member of the Sr2Be2(BO3)2O Family with [Al2(B3O6)2O]2− Double Layers70Beryllium-Free Nonlinear-Optical Crystals A 3 Ba 3 Li 2 Ga 4 B 6 O 20 F (A = K and Rb): Members of the Sr 2 Be 2 (BO 3 ) 2 O Family with a Strong Covalent Connection between the ∞ 2 [Li 2 Ga 4 B 6 O 20 F] 9– Double Layers27Anisotropy of nonlinear optical properties in monoclinic SmxY1-xCa4O(BO3)3 crystals12BaLiZn3B3O9: a Mixed‐Cation KBe2BO3F2‐Type Zinc‐Borate with a (LiZn3B3O9)∞ Network9Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)222Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations11Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses25Growth, Crystal Structures, and Characteristics of Li 5 ASrMB 12 O 24 (A = Zn, Mg; M = Al, Ga) with [MB 12 O 24 ] Frameworks12Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge9Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges3Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene284Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution15Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties20Nontoxic KBBF Family Member Zn2BO3(OH): Balance between Beneficial Layered Structure and Layer Tendency81LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO398LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO337NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material18Syntheses, characterization, and theoretical calculation of Rb2Mg3(P2O7)2 polymorphs with deep-ultraviolet cutoff edges18Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B–O Groups12Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge14Gadolinium-Rich Borate Gd 17.33 (BO 3 ) 4 (B 2 O 5 ) 2 O 16 Exhibiting a Magnetocaloric Effect24Cs 2 AlB 5 O 10 : a short-wavelength nonlinear optical crystal with moderate second harmonic generation response12Borates: A Rich Source for Optical Materials1089Hydrogen-Bond-Assisted Alignment of [MCu(SeO 3 ) 4 Cl(H 2 O)] 4– (M = Fe, Ga) Anionic Layers to Form Two Polar Oxychlorides: Pb 2 MCu(SeO 3 ) 4 Cl(H 2 O)10Ultraviolet nonlinear optical crystals A 3 SrBi(P 2 O 7 ) 2 (A = K, Rb) with large second harmonic generation responses15Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation1π‑Conjugated Trigonal Planar [C(NH2)3]+ Cationic Group: A Superior Functional Unit for Ultraviolet Nonlinear Optical Materials52Te(CS(NH2)2)4SO4·2H2O: A Three-in-One Semiorganic Nonlinear Optical Crystal with an Unusual Quadrilateral (TeS4)6– Chromophore14From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution33BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response45Li3La2(BO3)3 and Li1.75Na1.25La2(BO3)3: A Great Enhancement in Birefringence Induced by Optimal Arrangement of π-Conjugated [BO3] Units28Identical in Formula but Not Isotypic in Configuration: Discovery of a New Highly Polymerized [B12O24] Cluster in Cs3AlB6O1212Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification89Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification9Flux Growth and Properties of Volatile Bromine-Containing UV Nonlinear Optical Crystal K3B6O10Br3Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate24K 3 Sr 3 Li 2 Al 4 B 6 O 20 F: a competitive nonlinear optical crystal for generation of a 266 nm laser35Molecular Engineering Design of the First Sr2Be2B2O7-type Fluoride Carbonates AMgLi2(CO3)2F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal※1Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance39Inorganic nonlinear optical materials7Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)212Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2212Rearrangement of [B2O5] Dimers within [B7O14] Clusters Enables Enhanced Optical Anisotropy in Li3Cs6Al2B14O28F4Design of a low-cost photonic crystal diode for data processing applications in photonic circuits0LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks33Aluminoborates as Nonlinear Optical Materials79Aluminoborates as Nonlinear Optical Materials14A promising ultraviolet nonlinear optical crystal: Rb 3 Ba 3 Li 2 Al 4 B 6 O 20 F—crystal growth, physical properties, and 266 nm laser generation17Enhancement of birefringence and refractive index dispersion optimization from iodates to fluorooxoiodates1Two Acentric Aluminoborates Incorporated d10 Cations: Syntheses, Structures, and Nonlinear Optical Properties24Recent progress in ultraviolet and deep-ultraviolet nonlinear optical aluminoborates17NaRb 6 (B 4 O 5 (OH) 4 ) 3 (BO 2 ) Featuring Noncentrosymmetry, Chirality, and the Linear Anionic Group BO 2 –100Recent 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 Birefringence6Cs 3 [(BOP) 2 (B 3 O 7 ) 3 ]: A Deep-Ultraviolet Nonlinear Optical Crystal Designed by Optimizing Matching of Cation and Anion Groups169Rb 3 MgB 5 O 10 and LiBaAl(BO 3 ) 2 : covalent tetrahedra MO 4 -containing borates with deep-ultraviolet cutoff edges9A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation41Ca 3 Al 2 B 8 O 18 : borate with a graphene-like layer featuring two types of topological six-membered rings induced by [AlO 4 ] units7CsAlB 3 O 6 Cl: the rational construction of a KBBF-type structure with aligned 2 ∞ [AlB 3 O 6 Cl] layers via introducing unprecedented [AlO 3 Cl] tetrahedra5Discovery of excellent ultraviolet nonlinear optical materials in chlorates and bromates with highly stereochemically active lone pairs12New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation19Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Effect of laser irradiation on the growth of Adipic acid single crystal for NLO applications8Na2B6SO13 with unprecedented [B6SO13]∞ double chains and largest birefringence among borosulfates induced by the uniform arrangement of [B3O7] units19Unveiling Charge Dependent Law to Enhance Birefringence in 2‐Aminopyrimidine Family21K6NaCaRe2(B5O10)3 (Re = Y, Lu): Two NLO Compounds Exhibiting a Short Absorption Edge in the A7–xA’xAeRe2(B5O10)3 (x = 0, 1) Family4Ba 3 Al 2 B 12 O 24 : a beryllium-free member of the Sr 2 Be 2 B 2 O 7 family with a 2 ∞ [B 12 Al 2 O 28 ] double-layered structure4Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF 6 ] group to design deep-ultraviolet zero-order waveplate materials2In Silico Investigation of Physicochemical and Nonlinear Optical Properties of Azobenzene-Based Novel Molecules2[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15Cation-modulated aligned arrangement of [B3O7] units in an unprecedented 2∞[B3O5] layer with remarkable birefringence10Origin of second harmonic generation in noncentrosymmetric crystal structures containing lone pair electrons5SrMBe 2 (BO 3 ) 2 F 2 (M = Zn, Mg): two SBBO-like compounds obtained by cation regulation1Reverse Weak Polarity‐Induced Ordered Layer Control for Enhanced Second‐Harmonic Generation in Ultraviolet Nonlinear Optical Crystals2Cation electronic structure governs Deep-UV nonlinear optical response in MB4O7 (M = Sn, Pb, Yb) Tetraborates: Lone pairs versus 4f electrons0K3Sr3Li2Ga4B6O20F: A Sr2Be2B2O7-Type Ultraviolet Nonlinear Optical Crystal0

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  1. 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

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  2. BaBOF 3 : a new aurivillius-like borate containing two types of F atoms

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  3. BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance

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  4. Ion-induced structural and optical performance evolution in LBO-like crystals: experimental and theoretical investigation

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  5. Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials

    Angewandte Chemie International Edition · 2018-03-07

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  6. Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials

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

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  8. 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

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

    Coordination Chemistry Reviews · 2018-04-06

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  10. Deep‐Ultraviolet Nonlinear Optical Crystal Cs2Al2(B3O6)2O: A Benign Member of the Sr2Be2(BO3)2O Family with [Al2(B3O6)2O]2− Double Layers

    Chemistry - A European Journal · 2018-04-15

    Zhi Gang Fang, Xingxing Jiang, Meihong Duan, Zhanyu Hou, Changcheng Tang, Mingjun Xia, Lijuan Liu, Zheshuai Lin, Feidi Fan, Lei Bai, Chuangtian Chen

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  11. Beryllium-Free Nonlinear-Optical Crystals A 3 Ba 3 Li 2 Ga 4 B 6 O 20 F (A = K and Rb): Members of the Sr 2 Be 2 (BO 3 ) 2 O Family with a Strong Covalent Connection between the ∞ 2 [Li 2 Ga 4 B 6 O 20 F] 9– Double Layers

    Inorganic Chemistry · 2018-04-20

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  12. Anisotropy of nonlinear optical properties in monoclinic SmxY1-xCa4O(BO3)3 crystals

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

    European Journal of Inorganic Chemistry · 2018-06-20

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  14. Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)2

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  15. Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations

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  16. Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses

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  17. Growth, Crystal Structures, and Characteristics of Li 5 ASrMB 12 O 24 (A = Zn, Mg; M = Al, Ga) with [MB 12 O 24 ] Frameworks

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

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  19. Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge

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  20. Two alkali calcium borates exhibiting second harmonic generation and deep-UV cutoff edges

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  21. Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene

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  22. Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution

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  24. Nontoxic KBBF Family Member Zn2BO3(OH): Balance between Beneficial Layered Structure and Layer Tendency

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  25. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

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  26. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

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  27. NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material

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  28. Syntheses, characterization, and theoretical calculation of Rb2Mg3(P2O7)2 polymorphs with deep-ultraviolet cutoff edges

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  29. Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B–O Groups

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  30. Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates

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  31. Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge

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  32. Gadolinium-Rich Borate Gd 17.33 (BO 3 ) 4 (B 2 O 5 ) 2 O 16 Exhibiting a Magnetocaloric Effect

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

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  34. Borates: A Rich Source for Optical Materials

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  35. Hydrogen-Bond-Assisted Alignment of [MCu(SeO 3 ) 4 Cl(H 2 O)] 4– (M = Fe, Ga) Anionic Layers to Form Two Polar Oxychlorides: Pb 2 MCu(SeO 3 ) 4 Cl(H 2 O)

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  36. Ultraviolet nonlinear optical crystals A 3 SrBi(P 2 O 7 ) 2 (A = K, Rb) with large second harmonic generation responses

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  37. Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation

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  38. π‑Conjugated Trigonal Planar [C(NH2)3]+ Cationic Group: A Superior Functional Unit for Ultraviolet Nonlinear Optical Materials

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  39. Te(CS(NH2)2)4SO4·2H2O: A Three-in-One Semiorganic Nonlinear Optical Crystal with an Unusual Quadrilateral (TeS4)6– Chromophore

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  40. From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution

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  41. BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response

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  42. Li3La2(BO3)3 and Li1.75Na1.25La2(BO3)3: A Great Enhancement in Birefringence Induced by Optimal Arrangement of π-Conjugated [BO3] Units

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  43. Identical in Formula but Not Isotypic in Configuration: Discovery of a New Highly Polymerized [B12O24] Cluster in Cs3AlB6O12

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  44. Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification

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  45. Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification

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  46. Flux Growth and Properties of Volatile Bromine-Containing UV Nonlinear Optical Crystal K3B6O10Br

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  47. Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate

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  48. K 3 Sr 3 Li 2 Al 4 B 6 O 20 F: a competitive nonlinear optical crystal for generation of a 266 nm laser

    Journal of Materials Chemistry C · 2022-01-01

    Yun Mo Yang, Shuzhao Huang, Shilie Pan

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  49. Molecular Engineering Design of the First Sr2Be2B2O7-type Fluoride Carbonates AMgLi2(CO3)2F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal※

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    Yunxia Song, Fei Liang, Haotian Tian, Yan Wu, Min Luo

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  50. Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance

    Advanced Optical Materials · 2022-01-29

    Jiankang Wang, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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