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RESEARCH PAPER · Chemistry of Materials · 2016

Deep Ultraviolet Nonlinear Optical Materials

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Deep Ultraviolet Nonlinear Optical MaterialsOriginalAnalysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures336BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching Wavelength80AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures178Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method106Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials258BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations55Enhancing optical anisotropy of crystals by optimizing bonding electron distribution in anionic groups237The first quaternary diamond-like semiconductor with 10-membered LiS 4 rings exhibiting excellent nonlinear optical performances105Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet50Bi(IO3)F2: The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect238Bi(IO3)F2: The First Metal Iodate Fluoride with a Very Strong Second Harmonic Generation Effect71New Apatite‐Type Oxide Ion Conductor, Bi2La8[(GeO4)6]O3: Structure, Properties, and Direct Imaging of Low‐Level Interstitial Oxygen Atoms Using Aberration‐Corrected Scanning Transmission Electron Microscopy51Top-Seeded Solution Crystal Growth and Linear and Nonlinear Optical Properties of Ba 4 B 11 O 20 F42M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications240Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2185Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F278Fluorooxoborates: Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Materials without Layered Growth894Fluorooxoborates: Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Materials without Layered Growth99An Ultraviolet Nonlinear Optic Borate with 13-Ring Channels Constructed from Different Building Units56Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1236Deep-Ultraviolet Nonlinear-Optical Material K3Sr3Li2Al4B6O20F: Addressing the Structural Instability Problem in KBe2BO3F2105CsB 4 O 6 F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units185CsB4O6F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units895Viewpoint: Inorganic Materials for UV and Deep-UV Nonlinear-Optical Applications207The Next‐Generation of Nonlinear Optical Materials: Rb3Ba3Li2Al4B6O20F—Synthesis, Characterization, and Crystal Growth87Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials268MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers53Influence of A-site cations on germanium iodates as mid-IR nonlinear optical materials: A 2 Ge(IO 3 ) 6 (A = Li, K, Rb and Cs) and BaGe(IO 3 ) 6 ·H 2 O43Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials192Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials714Non-Centrosymmetric RbNaMgP 2 O 7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation240High-Power, Solid-State, Deep Ultraviolet Laser Generation63SrB 5 O 7 F 3 Functionalized with [B 5 O 9 F 3 ] 6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials738SrB5O7F3 Functionalized with [B5O9F3]6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials116Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)64Synthesis of Lithium Niobate Nanocrystals with Size Focusing through an Ostwald Ripening Process74Pb2BO3I: A Borate Iodide with the Largest Second‐Harmonic Generation (SHG) Response in the KBe2BO3F2 (KBBF) Family of Nonlinear Optical (NLO) Materials238A 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 Responses103Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals256CsSiB3O7: 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− groups193CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances192Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystals243Second-order nonlinear optical crystals with mixed anions251Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability47A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances253Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials258Recent advances and future perspectives on infrared nonlinear optical metal halides224Li 4 Na 2 CsB 7 O 14 : a new edge-sharing [BO 4 ] 5− tetrahedra containing borate with high anisotropic thermal expansion52A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials99A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials78Fluoroborophosphates: a family of potential deep ultraviolet NLO materials43Functional layered materials with heavy metal lone pair cations, Pb 2+ , Bi 3+ , and Te 4+90K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79Li 2 ZnGeS 4 : a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response43Metal-free perovskites for non linear optical materials70Li2CsB7O10(OH)4: A Deep-Ultraviolet Nonlinear-Optical Mixed-Alkaline Borate Constructed by Unusual Heptaborate Anions98Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene284Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin(II) Phosphate BaSn 2 (PO 4 ) 2131Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates269Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates453Module-Analysis-Assisted Design of Deep Ultraviolet Fluorooxoborates with Extremely Large Gap and High Structural Stability109Searching for materials with high refractive index and wide band gap: A first-principles high-throughput study90Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4268Facile 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 relationships146How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates326Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides63First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 484CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153Atom-Resolved Analysis of Birefringence of Nonlinear Optical Crystals by Bader Charge Integration56(NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior92A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Emergent Deep‐Ultraviolet Nonlinear Optical Candidates327Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Na2Mg1−xZnxSiO4 (0 ≤ x ≤ 1): Noncentrosymmetric Sodium Metal Silicate Solid Solutions with Ultraviolet Nonlinear Optical Properties712(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation78Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Second-order nonlinear optical materials with a benzene-like conjugated π system50Ca 2 B 5 O 9 Cl and Sr 2 B 5 O 9 Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows46Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles145Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material121Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials164Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials56Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O951Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate127Recent Progress in 2D Metal‐Organic Frameworks for Optical Applications150A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles46Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity201Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Bi 3 (SeO 3 ) 3 (Se 2 O 5 )F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response63First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates106Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution50Realizing Deep-Ultraviolet Second Harmonic Generation by First-Principles-Guided Materials Exploration in Hydroxyborates112A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106NaZnCO 3 (OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe 2 BO 3 F 2194Borates: A Rich Source for Optical Materials1097Sn2B5O9Br as an Outstanding Bifunctional Material with Strong Second‐Harmonic Generation Effect and Large Birefringence84[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution43Recent advances of oxyfluorides for nonlinear optical applications69To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units46M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence141Large Second-Harmonic Response and Giant Birefringence of CeF 2 (SO 4 ) Induced by Highly Polarizable Polyhedra247A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations71LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure179UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate194An Insightful Picture of Nonlinear Photonics in 2D Materials and their Applications: Recent Advances and Future Prospects77K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response130Hydrogen‐Bond‐Driven Synergistically Enhanced Hyperpolarizability: Chiral Coordination Polymers with Nonpolar Structures Exhibiting Unusually Strong Second‐Harmonic Generation87LiB2O3F: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Designed Based on a Boron-Rich Strategy62BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response46Exploring Deep-UV Nonlinear Optical Materials with Enhanced Second Harmonic Generation Response and Birefringence in Fluoroaluminoborate Crystals69Polarization-independent 2×2 high diffraction efficiency beam splitter based on two-dimensional grating482D van der Waals Layered [C(NH2)3]2SO3S Exhibits Desirable UV Nonlinear-Optical Trade-Off47LiNbTeO5: A High-Performance Multifunctional Crystal Material with a Very Large Second-Harmonic Generation Response and Piezoelectric Coefficient52Na4B8O9F10: A Deep‐Ultraviolet Transparent Nonlinear Optical Fluorooxoborate with Unexpected Short Phase‐Matching Wavelength Induced by Optimized Chromatic Dispersion133Pressure‐Driven Two‐Step Second‐Harmonic‐Generation Switching in BiOIO344Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106Halogen regulation triggers structural transformation from centrosymmetric to noncentrosymmetric switches in tin phosphate halides Sn 2 PO 4 X (X = F, Cl)47Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−115Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence56Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2215Cs2Bi2OSi2O7: A Promising Bismuth Silicate Nonlinear Optical Crystal with Face-Sharing BiO5 Polyhedra Exhibiting Strengthened Second Harmonic Generation Response and Birefringence43Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species82Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence49Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181An excellent deep-ultraviolet birefringent material based on [BO2]∞ infinite chains186Local Polarity-Induced Assembly of Second-Order Nonlinear Optical Materials129Evaluating refractive index and birefringence of nonlinear optical crystals: Classical methods and new developments45Intense d‐p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates51Recent advances in non-π-conjugated nonlinear optical sulfates with deep-UV absorption edge53An interlinked prediction-experiment paradigm discovering deep-ultraviolet fluorooxoborates with desired optical nonlinearity and birefringence76ASb(SO4)2 (A = Rb, Cs): Two short-wave UV antimony sulfates exhibiting large birefringence43Breaking the Inherent Interarrangement of [B3O6] Clusters for Nonlinear Optics with Orbital Hybridization Enhancement143New Functional Groups Design toward High Performance Ultraviolet Nonlinear Optical Materials93Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61In Situ Chiral Template Approach to Synthesize Homochiral Lead Iodides for Second‐Harmonic Generation68Assembly of π‐Conjugated [B3O6] Units by Mer‐Isomer [YO3F3] Octahedra to Design a UV Nonlinear Optical Material, Cs2YB3O6F296Review on birefringence in borates based on birefringence-active functional groups and arrangements57Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units67Exploiting Deep‐Ultraviolet Nonlinear Optical Material Rb 2 ScB 3 O 6 F 2 Originated from Congruously Oriented [B 3 O 6 ] Groups61Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109[C 2 N 4 H 7 O][NH 2 SO 3 ]: High‐Performance Ultraviolet Nonlinear Optical Crystal with Ditrigon Coupled Guanylurea Group48Recent progress in structural design strategies of high-birefringence optical crystals53

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  2. ChemInform Abstract: Deep Ultraviolet Nonlinear Optical Materials

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  4. Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

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  5. BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching Wavelength

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  7. Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method

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  9. Na7[Ga2B13O24(OH)4]: A Luminescent Sodium Gallium Borate Containing Two Different Types of Oxoboron Framework Building Blocks

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  10. Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)8

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  11. Alkali earth MO x ( x = 6, 7, 9, 12) polyhedra tuned cadmium selenites with different dimensions and diverse SeO 3 2− coordinations

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  20. Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet

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  23. New Apatite‐Type Oxide Ion Conductor, Bi2La8[(GeO4)6]O3: Structure, Properties, and Direct Imaging of Low‐Level Interstitial Oxygen Atoms Using Aberration‐Corrected Scanning Transmission Electron Microscopy

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  35. Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides

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  36. An Ultraviolet Nonlinear Optic Borate with 13-Ring Channels Constructed from Different Building Units

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  37. Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F

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  38. Deep-Ultraviolet Nonlinear-Optical Material K3Sr3Li2Al4B6O20F: Addressing the Structural Instability Problem in KBe2BO3F2

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  39. CsB 4 O 6 F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units

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  40. CsB4O6F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units

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