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RESEARCH PAPER · Journal of the American Chemical Society · 2021

Giant Second-Harmonic Generation Response and Large Band Gap in the Partially Fluorinated Mid-Infrared Oxide RbTeMo 2 O 8 F

Yilei Hu, Chao Wu, Xingxing Jiang, Zujian Wang, Zhipeng Huang, Zheshuai Lin, Xifa Long, Mark Graeme Humphrey, Chi Zhang

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Giant Second-Harmonic Generation Response and Large Band Gap in the Partially Fluorinated Mid-Infrared Oxide RbTeMo 2 O 8 FOriginalRole of fluorine on the structure and second-harmonic-generation property of inorganic selenites and tellurites23Strong 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 Modification9A Lead Mixed Halide with Three Different Coordinated Anions and Strong Second‐Harmonic Generation Response10Synergistic Effect of π-Conjugated [C(NH 2 ) 3 ] Cation and Sb(III) Lone Pair Stereoactivity on Structural Transformation and Second Harmonic Generation58Two molybdenyl carbonates with different dimensional structures exhibiting huge differences in band gaps7A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency15A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency96LiNbTeO5: A High-Performance Multifunctional Crystal Material with a Very Large Second-Harmonic Generation Response and Piezoelectric Coefficient52AZn 2 (BO 3 )Si 2 O 5 (A = Rb, Cs): first examples of KBe 2 BO 3 F 2 structure type in the borosilicate family exhibiting a deep-ultraviolet cutoff edge25Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)6KCs2Pb2(HCOO)2Cl5: A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution3Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks63( R )- and ( S )-[C 8 H 10 NO 3 ] 2 [NbOF 5 ]: noncentrosymmetric niobium oxyfluorides with large optical anisotropy3An excellent lead oxyiodide with a strong second-harmonic generation response and a large birefringence induced by the oriented arrangement of highly distorted [PbO 4 I 2 ] polyhedra13APb 2 (C 7 H 3 NO 4 ) 2 I (A = K, Rb, Cs): rare stable nonlinear optical crystals with second-harmonic generation response and highly distorted lead core coordination polyhedra2Hg 2 (SeO 3 )(SO 4 ): the first sulfate selenite with large birefringence explored from d 10 transition metal compounds36KPb 3 ( o -C 5 H 4 NCOO) 2 Cl 5 : a brand-new stable lead chloride with good comprehensive nonlinear optical performance5Metal oxyhalides: an emerging family of nonlinear optical materials124Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0Rational design of a promising oxychalcogenide infrared nonlinear optical crystal60Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response31Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering28HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups36Na 3 Ti 3 O 3 (SeO 3 ) 4 F: A Phase-Matchable Nonlinear-Optical Crystal with Enlarged Second-Harmonic-Generation Intensity and Band Gap20Potential optical functional crystals with large birefringence: Recent advances and future prospects322Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence2Ultrawide Bandgap and Outstanding Second‐Harmonic Generation Response by a Fluorine‐Enrichment Strategy at a Transition‐Metal Oxyfluoride Nonlinear Optical Material51Ultrawide Bandgap and Outstanding Second‐Harmonic Generation Response by a Fluorine‐Enrichment Strategy at a Transition‐Metal Oxyfluoride Nonlinear Optical Material12Uncovering the Structural Diversity and Excellent Performance of a Deep Ultraviolet Nonlinear Optical System Li(B2O3)nF (n= 1, 1.5, 2, and 3) by Multicomponent Prediction26One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response29Enhanced Second-Harmonic-Generation Efficiency and Birefringence in Melillite Oxychalcogenides Sr2MGe2OS6 (M = Mn, Zn, and Cd)97Nonlinear Optical Benzoindolium-Based Single Crystals: H-Contacts Induced Noncentrosymmetric Alignment Approaching Efficient Terahertz-Wave Generation17Enhancement of Birefringence in Borophosphate Pushing Phase-Matching into the Short-Wavelength Region150The Kurtz-Perry powder technique revisited: A case study on the importance of reference quality and broadband nonlinear optical measurements using LiInSe232Crystallographic Insights into the Crystal Structure and Intrinsic Properties of Ca12Al14O33-Type Rb3LiZn2(MoO4)4Single Crystals1Bi3TeBO9: A Promising Mid-Infrared Nonlinear Optical Crystal with a Large Laser Damage Threshold6RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80Eu 2 P 2 S 6 : The First Rare‐Earth Chalcogenophosphate Exhibiting Large Second‐Harmonic Generation Response and High Laser‐Induced Damage Threshold143Eu2P2S6: The First Rare‐Earth Chalcogenophosphate Exhibiting Large Second‐Harmonic Generation Response and High Laser‐Induced Damage Threshold7Additive‐Triggered Polar Polymorph Formation: β‐Sc(IO 3 ) 3 , a Promising Next‐Generation Mid‐Infrared Nonlinear Optical Material42Additive‐Triggered Polar Polymorph Formation: β‐Sc(IO3)3, a Promising Next‐Generation Mid‐Infrared Nonlinear Optical Material3Chiral Lead-Free Double Perovskite Single-Crystalline Microwire Arrays for Anisotropic Second-Harmonic Generation45Transparent Lead‐Free Ferroelectric (K, Na)NbO3 Single Crystal with Giant Second Harmonic Generation and Wide Mid‐Infrared Transparency Window21Design of novel deep-UV nonlinear optical materials with one-dimensional functional module [BO2]∞ chain and fluorine-driven short phase-matching43Enhancements of Second Harmonic Generation and Birefringence in Traditional RbTiOPO4‐Type Crystals by Aliovalent Substitution of Ti Site1Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation68Rb 2 CdSi 4 S 10 : novel [Si 4 S 10 ] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap79From Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation18KREP2Se6 (RE = Sm, Gd, Tb): The First Rare‐Earth Selenophosphates with Remarkable Nonlinear Optical Activities Realized by Synergistic Effect of RE‐ and P‐Based Motifs39Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Ce 3 F 4 (SO 4 ) 4 : cationic framework assembly for designing polar nonlinear optical material through fluorination degree modulation23From AgTeO 2 F and Ag 2 (TeO 2 F 2 ) to Ag 3 F 3 (TeF 6 )(TeO 2 ) 12 : the first silver tellurite oxyfluorides with linear and nonlinear optical properties26From CdPb 8 (SeO 3 ) 4 Br 10 to Pb 3 (TeO 3 )Br 4 : the first tellurite bromide exhibiting an SHG response and mid-IR transparency21Heteroanion-introduction-driven birefringence enhancement in oxychalcogenide Ba 3 M II Ge 3 O 2 S 8 (M II = Mn, Cd)19Toward Large Second-Harmonic Generation and Deep-UV Transparency in Strongly Electropositive Transition Metal Sulfates112The Kurtz–Perry Powder Technique Revisited: A Study of the Effect of Reference Selection on Powder Second-Harmonic Generation Response20Unbiased Screening of Novel Infrared Nonlinear Optical Materials with High Thermal Conductivity: Long‐neglected Nitrides and Popular Chalcogenides12Unbiased Screening of Novel Infrared Nonlinear Optical Materials with High Thermal Conductivity: Long‐neglected Nitrides and Popular Chalcogenides48Alignment of Λ-Shaped Basic Building Units to Construct One New KMoO3(IO3) Polar Polymorph11AKTeO2(CO3) (A = Li, Na): The First Carbonatotellurites Featuring a Zero-Dimensional [Te2C2O10]4– Cluster and a Wide Band Gap5Advances in aliovalent substitution strategy for the design and synthesis of nonlinear optical materials: d0 transition metal/gallium iodates and selenites70AAl(Te 4 O 10 ) (A = Na, Ag) and K 2 Ga 2 (HTe 6 O 16 )(HTeO 3 ): Three Aluminum/Gallium Tellurites with Large Birefringence and Wide Band Gap21Cd2Nb2Te4O15: A Novel Pseudo‐Aurivillius‐Type Tellurite with Unprecedented Nonlinear Optical Properties and Excellent Stability40A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions15A survey of stereoactive oxysalts for linear and nonlinear optical applications40Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride39Giant Mid‐Infrared Second‐Harmonic Generation Response in a Densely‐Stacked Van Der Waals Transition‐Metal Oxychloride8Designing a Dimension Reduced Hybrid Perovskite with Robust Large Birefringence by Expanding Cationic π‐Delocation40Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application49A potassium lead 2-methylmalonate-iodide nonlinear optical crystal with strong second-harmonic generation response and large birefringence2Designing a Hybrid Perovskite with Enlarged Birefringence and Bandgap for Modulation of Light Polarization32Ln 2 F 2 (OH 2 )(MoO 3 ) 2 (SeO 3 ) 2 : Promising Multifunctional Nonlinear Optical Materials Created by Partial Fluorination Strategy under Corrosion Resistant Supercritical Reactions25Highly Birefringent d 0 Transition Metal Fluoroantimonite in the Mid Infrared Band: Order–Disorder Regulation by Cationic Size83Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction33Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction3Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals15Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals70Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides0K4ZnV5O15Cl: A Congruent‐Melting Mid‐Infrared Nonlinear Optical Crystal Combined with Strong Second‐Harmonic Generation and High Laser‐Induced Damage Threshold14Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence9Secondary‐Bond‐Driven Construction of a Polar Material Exhibiting Strong Broad‐Spectrum Second‐Harmonic Generation and Large Birefringence41Large optical anisotropy in noncentrosymmetric phosphate with pseudo 2D intercalated layer16Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap16Partial substitution with a significant effect: coexistence of a wide band gap and large birefringence in the oxychalcogenide AEGe 2 O 4 Se (AE = Sr and Ba)17RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation23Synthesis and Properties Study of a Germanate Mid-Infrared Nonlinear Optical Crystal0Screening Large Birefringent Materials via Halogen Regulation in Ternary d0-Transition Metal Oxyhalides8Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization43The doping effect on the linear and nonlinear optical behaviors of nickel oxide films for multiple optoelectronic applications21Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides21Record Second-Harmonic Generation and Birefringence in an Ultraviolet Antimonate by Bond Engineering157A2Pb3[H2N(CH2COO)2]3Cl5 (A = K, Rb): Porous Crystals Constructed on [Pb3Cl5O6] Clusters with Comprehensive Nonlinear Optical Performance3Unleashing the potential of π-conjugated [B2O3(OH)2] to enhance birefringence in DUV crystals9Polysubstitution Induced Centrosymmetric-to-Noncentrosymmetric Structural Transformation and Nonlinear-Optical Behavior: The Case of Na0.45Ag0.55Ga3Se52Combining rigid and deformable groups to construct a robust birefringent crystal for compact polarization components25Enhanced Birefringence in Phosphates via “Two Steps in One”: d0 Transition Metal Regulation and Fluorination Synergistic Strategy7Old tree blossoms anew: Research progress on the structures and optical properties of ultraviolet selenites56Effects of different groups on phase-matching and SHG in “3+4” Pn materials0Learning From Nature: The Rational Non‐Centrosymmetric Structural Design in the Honeycomb‐Like Gaudefroyite Family23Pb2TeV2O10: A Lead Vanadate Tellurate with Wide Mid-IR Transparency and Large Birefringence Induced by Multiple Birefringence-Active Groups11First-principles study of three isomers of the large birefringent crystal Sb4O4F4: electronic structure and optical properties0From [Ba3S][GeS4] to [Ba3CO3][MS4] (M = Ge, Sn): Enhancing optical anisotropy in IR birefringent crystals via functional group implantation11Different magnitudes of second-order Jahn-Teller effect in isostructural NaMO2F2 (M = Nb, Ta) oxyfluorides4Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Rare‐Earth Substitution Induced Symmetry Breaking for The First Sc‐Based Nonlinear Optical Chalcogenide with High‐Performance30CdF(C 6 H 4 NO 2 )(H 2 O): a UV nonlinear optical material with unprecedented SHG and birefringence via π-conjugated rings and a unique “Warren truss structure”11First-Principles High-Throughput Screening and Experimental Verification of III-VIB Transition Metal Chalcogenides Nonlinear Optical Crystals15Nonlinear Optical Effects Modulated by Distinctive Monovalent Cations with Lone Electron Pairs in AGaI 4 (A = Ga + , In + )4pH‐Dependent Switching Between Nonlinear‐Optical‐Active Nitrate‐Based Supramolecular Polymorphs27pH‐Dependent Switching Between Nonlinear‐Optical‐Active Nitrate‐Based Supramolecular Polymorphs2LiAgCe2F10(H2O)2: Focusing on the Cation Size Effect to Reasonably Design a Nonlinear Optical Hydrated Cerium(IV) Fluoride10Halogen-Driven Structural Engineering in Tellurium Oxyhalides: Enhanced SHG Response and Broad Optical Transparency6Bridging the Interlayer Binding to Ordered π‐Conjugated Units for Constructing High‐Performing Light Polarization Crystals8Bridging the Interlayer Binding to Ordered π‐Conjugated Units for Constructing High‐Performing Light Polarization Crystals48Ca 7 (TeO 3 ) 6 (MoO 4 ): A Promising Mid-Infrared Nonlinear Optical Crystal Activated via a Module-Oriented Dimensionality Reduction Strategy34Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O0Enhancement of optical anisotropy from [BF4] units by ligand substitution0Controlling d10 Metal in Phenylthiourea‐Based Hybrid Metal Halides to Actualize Dimensional Transformation and Significantly Improve the Birefringence11K5NaZr4F22(H2O)2: A Hydrated Zirconium Fluoride with a Second-Harmonic Generation Effect and a Short Ultraviolet Cutoff Edge Induced by Cosubstitution with Heterovalent Cations6Regulating the coplanarity of π-conjugated units through hydrogen bonding in FAHC2O4 and FAH2C3N3S3 crystals5Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation10Breaking the Deep‐UV Transparency/Optical Nonlinearity Trade‐Off: Three‐Parameter Optimization in Oxyfluorides by Tailoring d 0 ‐Metal Incorporation4From (C12H9N2)2TeBr6·2H2O to (C12H9N2)2TeBr6: Dehydration-Driven Crystal Reorganization for Birefringence Optimization6(C7H10N)3Bi2I9·I2: Synergistic Cooperation of π-Conjugated Cations and Distorted [BiI6] Octahedra Enabling a Large Infrared Birefringence4[Pb(ptz)(OH)(H2O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence0A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal2A Band‐Orientation Co‐Anchoring Strategy for the Design of a High‐Performance Mid‐Infrared Nonlinear Optical Crystal12pH‐Regulated Ring‐Opening/Closing Transformation in Polyoxometalates Enables High‐Performance Nonlinear Optical Crystals1pH‐Regulated Ring‐Opening/Closing Transformation in Polyoxometalates Enables High‐Performance Nonlinear Optical Crystals13Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials10Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12Tailoring ordered structures with distorted [TeO 3 ] and aligned [ScO 6 ] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals5High‐Throughput Discovery of Large Birefringence Materials in Mixed‐N Hf‐O Systems0Mid Infrared Nonlinear Optical Series A 4 MV 5 O 15 X (A = K, Rb; M = Zn, Cd; X = Cl, Br) with Strong Second Harmonic Generation Responses3Anionic configuration extension induced birefringence enhancement in vanadium iodate oxyfluorides0Stable lead succinate-iodides with strong second-harmonic generation response and large birefringence0中红外氧化物非线性光学晶体研究进展（特邀）0Bonding-type-driven structural transformation toward novel fluoroiodosulfates: Achieving non-centrosymmetry and enhanced optical properties in K2(IO3F)SO30Programmable Anisotropic in Diazapyrene Cocrystals With Birefringence Exceeding 1.27Programmable Anisotropic in Diazapyrene Cocrystals With Birefringence Exceeding 1.21Rational design of a quasi-0D tungsten tellurite nonlinear optical crystal with exceptionally balanced properties1The Enhancement of Phase‐Matching Capability by Recombining π‐Conjugated Group in Nonlinear Optical Sulfates1Metal tellurite oxides: Lone-pair-enabled coordination chemistry, polymerized architectures, and functional materials opportunities1Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance3Advances in metal selenite nonlinear optical materials: halogens directed structure modulation and property optimization0Rational Design of a Strong Nonlinear Optical Crystal With Ultrawide Bandgap via Fine‐Tuning of Channel Structures0Chiral Supramolecular Templating Enables Tunable Second‐Harmonic Generation in Hybrid Zinc Thiocyanates0Chiral Supramolecular Templating Enables Tunable Second‐Harmonic Generation in Hybrid Zinc Thiocyanates0

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  1. Role of fluorine on the structure and second-harmonic-generation property of inorganic selenites and tellurites

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

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

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  4. A Lead Mixed Halide with Three Different Coordinated Anions and Strong Second‐Harmonic Generation Response

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  5. Synergistic Effect of π-Conjugated [C(NH 2 ) 3 ] Cation and Sb(III) Lone Pair Stereoactivity on Structural Transformation and Second Harmonic Generation

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  6. Two molybdenyl carbonates with different dimensional structures exhibiting huge differences in band gaps

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  7. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  8. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  9. LiNbTeO5: A High-Performance Multifunctional Crystal Material with a Very Large Second-Harmonic Generation Response and Piezoelectric Coefficient

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  11. Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)

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  12. KCs2Pb2(HCOO)2Cl5: A Lead Formate with Strong Second-Harmonic-Generation Response Obtained by an Anionic Substitution

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  13. Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks

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  14. ( R )- and ( S )-[C 8 H 10 NO 3 ] 2 [NbOF 5 ]: noncentrosymmetric niobium oxyfluorides with large optical anisotropy

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  15. An excellent lead oxyiodide with a strong second-harmonic generation response and a large birefringence induced by the oriented arrangement of highly distorted [PbO 4 I 2 ] polyhedra

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  16. APb 2 (C 7 H 3 NO 4 ) 2 I (A = K, Rb, Cs): rare stable nonlinear optical crystals with second-harmonic generation response and highly distorted lead core coordination polyhedra

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  19. Metal oxyhalides: an emerging family of nonlinear optical materials

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  22. Unprecedented boat-shaped [Mo 2 O 5 (IO 3 ) 4 ] 2− polyanions induced a strong second harmonic generation response

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  23. Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering

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  24. HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups

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  25. Na 3 Ti 3 O 3 (SeO 3 ) 4 F: A Phase-Matchable Nonlinear-Optical Crystal with Enlarged Second-Harmonic-Generation Intensity and Band Gap

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  26. Potential optical functional crystals with large birefringence: Recent advances and future prospects

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  27. Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence

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  28. Ultrawide Bandgap and Outstanding Second‐Harmonic Generation Response by a Fluorine‐Enrichment Strategy at a Transition‐Metal Oxyfluoride Nonlinear Optical Material

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  29. Ultrawide Bandgap and Outstanding Second‐Harmonic Generation Response by a Fluorine‐Enrichment Strategy at a Transition‐Metal Oxyfluoride Nonlinear Optical Material

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  30. Uncovering the Structural Diversity and Excellent Performance of a Deep Ultraviolet Nonlinear Optical System Li(B2O3)nF (n= 1, 1.5, 2, and 3) by Multicomponent Prediction

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  31. One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response

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  32. Enhanced Second-Harmonic-Generation Efficiency and Birefringence in Melillite Oxychalcogenides Sr2MGe2OS6 (M = Mn, Zn, and Cd)

    Chemistry of Materials · 2022-04-07

    Mao‐Yin Ran, Shenghua Zhou, Bingxuan Li, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  33. Nonlinear Optical Benzoindolium-Based Single Crystals: H-Contacts Induced Noncentrosymmetric Alignment Approaching Efficient Terahertz-Wave Generation

    Crystal Growth & Design · 2022-04-08

    Weifeng Zhang, Zelong Wang, Xinyuan Zhang, Yuye Wang, Degang Xu, Zhanggui Hu, Jianquan Yao, Yicheng Wu

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  34. Enhancement of Birefringence in Borophosphate Pushing Phase-Matching into the Short-Wavelength Region

    Journal of the American Chemical Society · 2022-05-13

    Wenbin Zhang, Junben Huang, Shujuan Han, Zhihua Yang, Shilie Pan

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  35. The Kurtz-Perry powder technique revisited: A case study on the importance of reference quality and broadband nonlinear optical measurements using LiInSe2

    Journal of Alloys and Compounds · 2022-05-13

    Daniel J. Clark, Jian‐Han Zhang, Andrew J. Craig, Ashley Weiland, Jacilynn A. Brant, Jeong Bin Cho, Yong Soo Kim, Joon Ik Jang, Jennifer A. Aitken

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  36. Crystallographic Insights into the Crystal Structure and Intrinsic Properties of Ca12Al14O33-Type Rb3LiZn2(MoO4)4Single Crystals

    Inorganic Chemistry · 2022-05-23

    Wenli Zhao, Lili Li, Tao Han, Jinmiao Jiao, Yuheng She, Ning Ye, Zhanggui Hu, Yicheng Wu, Conggang Li

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  37. Bi3TeBO9: A Promising Mid-Infrared Nonlinear Optical Crystal with a Large Laser Damage Threshold

    Inorganic Chemistry · 2022-05-26

    Weimin Dong, Yingjie Sun, Biao Wang, Mengqi Zhu, Jing Li, Xinguang Xu, Jiyang Wang

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  38. RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

    ACS Materials Letters · 2022-05-31

    Man-Man Chen, Shenghua Zhou, Wenbo Wei, Mao‐Yin Ran, Bingxuan Li, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  39. Eu 2 P 2 S 6 : The First Rare‐Earth Chalcogenophosphate Exhibiting Large Second‐Harmonic Generation Response and High Laser‐Induced Damage Threshold

    Angewandte Chemie International Edition · 2022-06-08

    Xiao Fen Huang, Sihan Yang, Xiaohui Li, Wenlong Liu, Sheng‐Ping Guo

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  40. Eu2P2S6: The First Rare‐Earth Chalcogenophosphate Exhibiting Large Second‐Harmonic Generation Response and High Laser‐Induced Damage Threshold

    Angewandte Chemie · 2022-06-08

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  41. Additive‐Triggered Polar Polymorph Formation: β‐Sc(IO 3 ) 3 , a Promising Next‐Generation Mid‐Infrared Nonlinear Optical Material

    Angewandte Chemie International Edition · 2022-07-12

    Chao Wu, Guangfeng Wei, Xingxing Jiang, Qinke Xu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  42. Additive‐Triggered Polar Polymorph Formation: β‐Sc(IO3)3, a Promising Next‐Generation Mid‐Infrared Nonlinear Optical Material

    Angewandte Chemie · 2022-07-12

    Chao Wu, Guangfeng Wei, Xingxing Jiang, Qinke Xu, Zheshuai Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  43. Chiral Lead-Free Double Perovskite Single-Crystalline Microwire Arrays for Anisotropic Second-Harmonic Generation

    ACS Applied Materials & Interfaces · 2022-08-19

    Ziwei Yu, Shiqi Cao, Yingjie Zhao, Yangwu Guo, Meiqiu Dong, Yue Chun Fu, Jinjin Zhao, Jingrun Yang, Lei Jiang, Yuchen Wu

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  44. Transparent Lead‐Free Ferroelectric (K, Na)NbO3 Single Crystal with Giant Second Harmonic Generation and Wide Mid‐Infrared Transparency Window

    Advanced Optical Materials · 2022-09-05

    Fangyi Yin, Lei Liu, Menghua Zhu, Junai Lv, Xin Guan, Jian Zhang, Na Lin, Xiuwei Fu, Zhitai Jia, Xutang Tao

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  45. Design of novel deep-UV nonlinear optical materials with one-dimensional functional module [BO2]∞ chain and fluorine-driven short phase-matching

    Materials Today Physics · 2022-10-03

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  46. Enhancements of Second Harmonic Generation and Birefringence in Traditional RbTiOPO4‐Type Crystals by Aliovalent Substitution of Ti Site

    Advanced Optical Materials · 2022-10-17

    Pengfei Zhu, Ziqing Li, Zhenyan Wang, Li Ai, Jianfu Zhao, Chao Li, Xiulan Duan, Xian Zhao, Fapeng Yu

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  47. Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation

    Journal of the American Chemical Society · 2022-10-19

    Chunbo Jiang, Xingxing Jiang, Chao Wu, Zhipeng Huang, Zheshuai Lin, Mark Graeme Humphrey, Chi Zhang

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  48. Rb 2 CdSi 4 S 10 : novel [Si 4 S 10 ] T2-supertetrahedra-contained infrared nonlinear optical material with large band gap

    Materials Horizons · 2022-11-25

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  49. From Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation

    Inorganic Chemistry · 2022-12-07

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  50. KREP2Se6 (RE = Sm, Gd, Tb): The First Rare‐Earth Selenophosphates with Remarkable Nonlinear Optical Activities Realized by Synergistic Effect of RE‐ and P‐Based Motifs

    Small · 2022-12-11

    Zi‐Xia Chen, Chen‐Yi Zhao, Xiaohui Li, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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