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RESEARCH PAPER · Chemistry of Materials · 2017

Rational Design of Deep-Ultraviolet Nonlinear Optical Materials in Fluorooxoborates: Toward Optimal Planar Configuration

Fei Liang, Lei Kang, Pifu Gong, Zheshuai Lin, Yicheng Wu

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Rational Design of Deep-Ultraviolet Nonlinear Optical Materials in Fluorooxoborates: Toward Optimal Planar ConfigurationOriginalNew Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials245Three Mixed-Alkaline Borates: Na2M2B20O32 (M = Rb, Cs) with Two Interpenetrating Three-Dimensional B-O Networks and Li4Cs4B40O64 with Fundamental Building Block B40O7730The First Alkaline‐Earth Fluorooxoborate Ba[B4O6F2]—Characterisation and Doping with Eu2+95Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals11Theoretical study on Pb2VO2F5: large birefringence derived from optical anisotropies of VO2F4 groups15K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials267MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups59A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers53Ba 3 B 10 O 17 Br 2 : a new barium borate halide with B–O layered structure4Design of novel graphdiyne-based materials with large second-order nonlinear optical properties90First principle study of nonlinear optical crystals15Indium selenide monolayer: a two-dimensional material with strong second harmonic generation24NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers27PbTeGeO 6 : polar rosiaite-type germanate featuring a two dimensional layered structure24Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material184RbSe 3 B 2 O 9 (OH) and CsSe 3 B 2 O 9 (OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties15Synthesis, crystal structure and optical properties of a new fluorocarbonate with an interesting sandwich-like structure7A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge27Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials191Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials714A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds32Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System90Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers6Pb2BO3I: 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) Materials24A 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 Materials356Deep-ultraviolet nonlinear optical materials: Development trend and innovative exploration16CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances192Beryllium-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 Layers27Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System34MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties35From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry33A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species56A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species5Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions206Sn[B2O3F2]—The First Tin Fluorooxoborate as Possible NLO Material102Two Novel Deep‐Ultraviolet Nonlinear Optical Crystals with Shorter Phase‐Matching Second Harmonic Generation than KBe2BO3F2: A First‐Principles Prediction20Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability46Two new mixed metal borates with the large birefringence in borates system confirmed by a disordered crystal optical calculation method6Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)23Na 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 edge27The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation26Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect24Pb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response178Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis11Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62Graphdiyne: A promising nonlinear optical material modulated by tetrahedral alkali-metal nitrides48“Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups15A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds56A 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 anisotropy47Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13Chloride carbodiimide K 12 Pb 51 (CN 2 ) 30 Cl 54 with an unprecedented 45 Å unit cell axis and a large birefringence7From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X 3 ZnB 5 O 10 (X = Na, K, Rb) and Cs 12 Zn 4 (B 5 O 10 ) 4 crystals26LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44M 2 (SeO 3 )F 2 (M = Zn, Cd): understanding the structure directing effect of [SeO 3 ] 2− groups on constructing ordered oxyfluorides14Pb 10 O 4 (BO 3 ) 3 I 3 : a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method6RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group31Rational 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 Substitution15Rational Design and Synthesis of a Deep-Ultraviolet Nonlinear Optical Fluorinated Orthophosphate: BaZn(PO4)F16Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68K9[B4O5(OH)4]3(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges16KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response26Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Rb7SrY2(B5O10)3: A Rare-Earth Pentaborate with Moderate Second-Harmonic Response and Interesting Phase-Matching Behavior29Centrosymmetric 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– Groups45Nitrate nonlinear optical crystals: A survey on structure-performance relationships146First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299Enormously high second-order nonlinear optical response of single alkali atom decorated hexalithiobenzene10An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study17Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study13Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles13Recent progress in selenite and tellurite based SHG materials32Second-order nonlinear optical materials with a benzene-like conjugated π system49Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response87Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O951Enhanced 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 principles45Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials29La2SrB10O19: A Promising Ultraviolet Nonlinear Optical Crystal with an Enhanced Nonlinear Optical Effect and Shortened Cutoff Edge9A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14Sr5[BO2(OH)]3(OH)3F: First hydroxyborate fluoride with the [BO2(OH)]2− unit2A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution10A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106La1-Eu B4O6(OH)2Cl (0 ≤ x ≤ 0.54): Strong 4f-4f excitations due to the noncentrosymmetric and oxychloride coordination of Eu3+3Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41From thiophosphate to chalcohalide: mixed-anion AgS x Cl y ligands concurrently enhancing nonlinear optical effects and laser-damage threshold10M 6 PS 5 X (M = Ag, Cu; X = Cl, Br) chalcohalides exhibiting strong nonlinear optical responses and high laser damage resistances9External electric field modulated second-order nonlinear optical response and visible transparency in hexalithiobenzene7Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance43Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance6La2SrB8O16: A new rare earth borate with [B8O20]16− groups exhibiting a deep ultraviolet cutoff edge10NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate7A 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**27A Potassium Tungsten Oxyfluoride with Strong Second-Harmonic Generation Response Derived from Anion-Ordered Functional Motif18Eu3+ and Tb3+ doped LiCaY5(BO3)6: Efficient red and green phosphors under UV or NUV excitations26AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution11A 6 Mo 2 P 4 O 19 (A = Rb, Cs) and Rb 2 MoP 2 O 9 : new molybdophosphates with distinct polyanionic configurations5(C 3 N 6 H 7 ) 2 SiF 6 ·H 2 O: an ultraviolet birefringent crystal exceeding the intrinsic energy gap of an organic reagent38Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges13Tunable femtosecond nonlinear absorption and optical limiting thresholds of La2O3‒B2O3 glasses by controlling the borate structural units36CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection26Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181(C3N6H7)2SbF5·H2O Exhibiting Strong Optical Anisotropy from the Optimal Arrangement of π-Conjugated (C3N6H7)+ Groups31Growth, Structure, and Optical Properties of a Nonlinear Optical Niobium Borate Crystal CsNbOB2O5 with Distorted NbO5 Square Pyramids13Design and synthesis of anisotropic crystals with π -conjugated rings toward giant birefringence36KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra26Modulating optical performance by phase transition in a nonlinear optical material β-Li 2 RbBi(PO 4 ) 28Controlling the Nonlinear Optical Behavior and Structural Transformation with A‐Site Cation in α‐AZnPO4 (A = Li, K)20Recent 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 Birefringence6Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge9Four New Sb‐based Orthophosphates: Cation Regulation to Investigate Diversified Structural Architecture1“Cation Activation”: An Effective Strategy for the Enhancement of Birefringence36Prediction of Promising Deep Ultraviolet Nonlinear Optical Materials in the Li 2 O–B 2 O 3 System7Design Principles for Noncentrosymmetric Materials23Ultraviolet Crystal with Strong Optical Nonlinearity by Creating Halogen-Centered Secondary Building Blocks15Tailored Synthesis of Two Metal Borates KSrM3B2O9 (M = Al and Ga) Exhibiting Wide Ultraviolet Transparency4Two noncentrosymmetric alkali metal phosphates MZnPO4 (M = Rb, Cs) with honeycomb-like structures8Equivalent cation-tuning to realize a new Ce( iv ) fluoride with excellent comprehensive nonlinear optical performances12K 2 MgMoP 2 O 10 and K 3 Mg 2 MoP 3 O 14 : two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework4Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80Deep-Ultraviolet Bialkali–Rare Earth Metal Anhydrous Sulfate Birefringent Crystal11Review on birefringence in borates based on birefringence-active functional groups and arrangements57Chemical substitution towards a rare-earth borate ultraviolet NLO crystal exhibiting a strong SHG response17Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Exploring ultra-high optical anisotropy in polyiodides7Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy4An alkali and rare earth metal mixed cyanurate KLa2(C3N3O3)2Cl with large birefringence: Synthesis and characterization2Design of rare earth borate short-wave UV nonlinear optical crystals with strengthened second harmonic generation activities via cationic modification strategy11Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13(C9H7BrN)BF4 and (C9H7BrN)2SiF6: Two Birefringent Crystals with Distinct Optical Anisotropy Regulated by Anions7NH4B5O7(OH)2 and CsRbB10O14(OH)4·H2O: Two Hydroxyborates Feature Significant Optical Anisotropy and Contain 1∞[B5O7(OH)2] Chains1Modulation of Crystal Structure and Birefringence: Cation Size Effect in Alkali Metal Fluoroaluminoborates4

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  1. New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials

    Journal of the American Chemical Society · 2017-09-25

    Kui Wu, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  2. Three Mixed-Alkaline Borates: Na2M2B20O32 (M = Rb, Cs) with Two Interpenetrating Three-Dimensional B-O Networks and Li4Cs4B40O64 with Fundamental Building Block B40O77

    Inorganic Chemistry · 2017-10-09

    Maierhaba Abudoureheman, Shujuan Han, Ying Wang, Qiong Liu, Zhihua Yang, Shilie Pan

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  3. The First Alkaline‐Earth Fluorooxoborate Ba[B4O6F2]—Characterisation and Doping with Eu2+

    Chemistry - A European Journal · 2017-11-03

    Stephan G. Jantz, Florian Pielnhofer, Leo van Wüllen, Richard Weihrich, Martin J. Schäfer, Henning A. Höppe

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  4. Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals

    Optics & Laser Technology · 2017-11-07

    A.N. Vigneshwaran, S. Kalainathan, Chidambaram Ramachandra Raja

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  5. Theoretical study on Pb2VO2F5: large birefringence derived from optical anisotropies of VO2F4 groups

    Journal of Materials Science · 2017-11-13

    Zhaohui Chen, Zhizhong Zhang, Ronglan Wu, Xiaoyu Dong, Yunjing Shi, Qun Jing

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  6. 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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  7. Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials

    Journal of the American Chemical Society · 2017-11-22

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  8. MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges

    Dalton Transactions · 2017-11-30

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  9. Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups

    Inorganic Chemistry · 2017-12-13

    Mingjun Xia, Molin Zhou, Fei Liang, Xianghe Meng, Jiyong Yao, Zheshuai Lin, Rukang K. Li

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  10. A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers

    Journal of Materials Chemistry C · 2018-01-01

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  11. Ba 3 B 10 O 17 Br 2 : a new barium borate halide with B–O layered structure

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    Shujuan Han, H. P. Wu, Hao Li, Zhihua Yang, Shilie Pan, Hao Yu

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  12. Design of novel graphdiyne-based materials with large second-order nonlinear optical properties

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  13. First principle study of nonlinear optical crystals

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  14. Indium selenide monolayer: a two-dimensional material with strong second harmonic generation

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  15. NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers

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  16. PbTeGeO 6 : polar rosiaite-type germanate featuring a two dimensional layered structure

    Dalton Transactions · 2018-01-01

    Zhen Jia, Xingxing Jiang, Zheshuai Lin, Mingjun Xia

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  17. Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material

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  18. RbSe 3 B 2 O 9 (OH) and CsSe 3 B 2 O 9 (OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties

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  19. Synthesis, crystal structure and optical properties of a new fluorocarbonate with an interesting sandwich-like structure

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

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  21. Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials

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  22. Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials

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  23. A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds

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  24. Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System

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

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  26. 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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  27. 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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  28. 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

    Chemistry of Materials · 2018-03-08

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

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

    Journal of the American Chemical Society · 2018-03-08

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

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  30. Deep-ultraviolet nonlinear optical materials: Development trend and innovative exploration

    Chinese Science Bulletin (Chinese Version) · 2018-03-22

    Minqiang Gai, Ying Wang, Shilie Pan

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  31. CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances

    Inorganic Chemistry · 2018-04-17

    Zhizhong Zhang, Ying Wang, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  32. 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

    Xianghe Meng, Fei Liang, Mingjun Xia, Zheshuai Lin

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  33. Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System

    Crystal Growth & Design · 2018-05-20

    Qian Wang, Fangfang He, Ling Huang, Daojiang Gao, Jian Bi, Guohong Zou

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  34. MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties

    Inorganic Chemistry · 2018-05-30

    Maierhaba Abudoureheman, Xiaobo Pan, Shujuan Han, Yilimiranmu Rouzhahong, Zhihua Yang, Hongping Wu, Shilie Pan

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  35. 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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  36. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

    Angewandte Chemie International Edition · 2018-06-05

    Guopeng Han, Bing‐Hua Lei, Zhihua Yang, Ying Wang, Shilie Pan

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  37. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

    Angewandte Chemie · 2018-06-05

    Guopeng Han, Bing‐Hua Lei, Zhihua Yang, Ying Wang, Shilie Pan

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  38. Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions

    Journal of the American Chemical Society · 2018-06-12

    Hongwei Yu, Matthew Lander Nisbet, Kenneth Reinhard Poeppelmeier

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  39. Sn[B2O3F2]—The First Tin Fluorooxoborate as Possible NLO Material

    Advanced Optical Materials · 2018-06-25

    Stephan G. Jantz, Marwin Dialer, Lkhamsuren Bayarjargal, Björn Winkler, Leo van Wüllen, Florian Pielnhofer, Jakoah Brgoch, Richard Weihrich, Henning A. Höppe

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  40. Two Novel Deep‐Ultraviolet Nonlinear Optical Crystals with Shorter Phase‐Matching Second Harmonic Generation than KBe2BO3F2: A First‐Principles Prediction

    physica status solidi (RRL) - Rapid Research Letters · 2018-06-28

    Lei Kang, Fei Liang, Pifu Gong, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  41. Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

    Chemistry - A European Journal · 2018-07-19

    Guopeng Han, Ying Wang, Bingbing Zhang, Shilie Pan

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  42. 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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  43. Two new mixed metal borates with the large birefringence in borates system confirmed by a disordered crystal optical calculation method

    Journal of Alloys and Compounds · 2018-09-01

    Xueyan Zhang, Shichao Cheng, Ming Wen, Hongyi Li, Jun Zhang

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  44. Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)2

    Crystal Growth & Design · 2018-09-21

    Yi Jin Yang, Yi Qiu, Pifu Gong, Qian Huang, Sangen Zhao, Siyang Luo, Junliang Sun, Zheshuai Lin

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  45. 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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  46. The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation

    Optik · 2018-10-25

    Qiaoqiao Zhang, Hahaer Mushahali, Haiming Duan, Ming‐Hsien Lee, Qun Jing

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  47. Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect

    Inorganic Chemistry · 2018-11-13

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

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  48. Pb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response

    Journal of the American Chemical Society · 2018-11-29

    Fengguang You, Fei Liang, Qian Huang, Zhanggui Hu, Yicheng Wu, Zheshuai Lin

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  49. Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis

    Journal of Alloys and Compounds · 2018-12-11

    Dobrosława Kasprowicz, Taras Zhezhera, Andrzej Łapiński, M. Chrunik, A. Majchrowski, Andriy V. Kityk, Yaroslav Shchur

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  50. Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite

    Crystal Growth & Design · 2018-12-28

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

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