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RESEARCH PAPER · Chemistry of Materials · 2013

Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials

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Metal Chalcogenides: A Rich Source of Nonlinear Optical MaterialsOriginalMolecular Engineering of Functional Inorganic and Hybrid Materials181Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure106Computational design of inorganic nonlinear optical crystals based on a genetic algorithm93A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation121SHG Materials SnGa4Q7 (Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region141Li2CdGeS4, A Diamond-Like Semiconductor with Strong Second-Order Optical Nonlinearity in the Infrared and Exceptional Laser Damage Threshold193Optical Nonlinearity in Cu2CdSnS4 and α/β-Cu2ZnSiS4: Diamond-like Semiconductors with High Laser-Damage Thresholds87Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge)94An investigation of new infrared nonlinear optical material: BaCdSnSe 4 , and three new related centrosymmetric compounds: Ba 2 SnSe 4 , Mg 2 GeSe 4 , and Ba 2 Ge 2 S 696BaGa 2 SnSe 6 : a new phase-matchable IR nonlinear optical material with strong second harmonic generation response58Highly porous aerogels based on imine chemistry: syntheses and sorption properties60Nanocrystal engineering of noble metals and metal chalcogenides: controlling the morphology, composition and crystallinity129PbGa 4 S 7 : a wide-gap nonlinear optical material91PbGa2MSe6 (M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals131Recent advances on second-order NLO materials based on metal iodates328Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal270Phase-Change Behavior and Nonlinear Optical Second and Third Harmonic Generation of the One-Dimensional K(1–x)CsxPSe6 and Metastable β-CsPSe662Predicting and Designing Optical Properties of Inorganic Materials71Strong IR NLO Material Ba4MGa4Se10Cl2: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy97Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System223Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups279RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material341Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441Design and Synthesis of the Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Material Ba3(ZnB5O10)PO4300Na4MgM2Se6 (M = Si, Ge): The First Noncentrosymmetric Compounds with Special Ethane-like [M2Se6]6– Units Exhibiting Large Laser-Damage Thresholds56Oxychalcogenide BaGeOSe2: Highly Distorted Mixed-Anion Building Units Leading to a Large Second-Harmonic Generation Response96Recent development of metal borate halides: Crystal chemistry and application in second-order NLO materials340BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties97Na 2 Hg 3 M 2 S 8 (M = Si, Ge, and Sn): New Infrared Nonlinear Optical Materials with Strong Second Harmonic Generation Effects and High Laser-Damage Thresholds186Na 2 BaMQ 4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations202Trigonal Planar [HgSe3]4– Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability196Halide Perovskites: Poor Man's High‐Performance Semiconductors460Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Deep-Ultraviolet Transparent Cs 2 LiPO 4 Exhibits an Unprecedented Second Harmonic Generation160Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures336Cooperation of Three Chromophores Generates the Water‐Resistant Nitrate Nonlinear Optical Material Bi3TeO6OH(NO3)2113Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials259Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit102Recent achievements on middle and far-infrared second-order nonlinear optical materials433Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses78The first quaternary diamond-like semiconductor with 10-membered LiS 4 rings exhibiting excellent nonlinear optical performances104Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds101Noncentrosymmetric chalcogenides BaZnSiSe4 and BaZnGeSe4 featuring one-dimensional structures56Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases208Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Li2HgMS4 (M = Si, Ge, Sn): New Quaternary Diamond-Like Semiconductors for Infrared Laser Frequency Conversion64Ba 6 Zn 7 Ga 2 S 16 : A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties111Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks65ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap140Experimental and theoretical studies on the NLO properties of two quaternary non-centrosymmetric chalcogenides: BaAg 2 GeS 4 and BaAg 2 SnS 468New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold142Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds76Photonic functional metal–organic frameworks661Spray deposition of AgBiS 2 and Cu 3 BiS 3 thin films for photovoltaic applications72Sr 5 ZnGa 6 S 15 : a new quaternary non-centrosymmetric semiconductor with a 3D framework structure displaying excellent nonlinear optical performance60From AgGaS2 to Li2ZnSiS4: Realizing Impressive High Laser Damage Threshold Together with Large Second-Harmonic Generation Response134First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers257Pushing Nonlinear Optical Oxides into the Mid-Infrared Spectral Region Beyond 10 μm: Design, Synthesis, and Characterization of La3SnGa5O14145Effect 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)63Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals258LiGa 2 PS 6 and LiCd 3 PS 6 : Molecular Designs of Two New Mid-Infrared Nonlinear Optical Materials88Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials95Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates265Structural and compositional control in copper selenide nanocrystals for light-induced self-repairable electrodes60Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials470Second-order nonlinear optical crystals with mixed anions250Adduct-Type IR Nonlinear-Optical Crystal SbI 3 ·(S 8 ) 3 with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold59Rational Design of a LiNbO3-like Nonlinear Optical Crystal, Li2ZrTeO6, with High Laser-Damage Threshold and Wide Mid-IR Transparency Window152A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances253BaB2S4: An Efficient and Air-Stable Thioborate as Infrared Nonlinear Optical Material with High Laser Damage Threshold85Recent advances and future perspectives on infrared nonlinear optical metal halides223Recent progress on new infrared nonlinear optical materials with application prospect133A 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 materials78A thorough understanding of the nonlinear optical properties of BODIPY/carborane/diketopyrrolopyrrole hybrid chromophores: module contribution, linear combination, one-/two-dimensional difference and carborane's arrangement66Metal-free perovskites for non linear optical materials70Partial substitution induced centrosymmetric to noncentrosymmetric structure transformation and promising second-order nonlinear optical properties of (K 0.38 Ba 0.81 )Ga 2 Se 495SrCdSnQ 4 (Q = S and Se): infrared nonlinear optical chalcogenides with mixed NLO-active and synergetic distorted motifs69SrCdGeS4 and SrCdGeSe4: Promising Infrared Nonlinear Optical Materials with Congruent-Melting Behavior74Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups67BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide188Mixed-Anion Inorganic Compounds: A Favorable Candidate for Infrared Nonlinear Optical Materials140Ba2Si3P6: 1D Nonlinear Optical Material with Thermal Barrier Chains99AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability76Sn 2 Ga 2 S 5 : A Polar Semiconductor with Exceptional Infrared Nonlinear Optical Properties Originating from the Combined Effect of Mixed Asymmetric Building Motifs81Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides64First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299Atom-Resolved Analysis of Birefringence of Nonlinear Optical Crystals by Bader Charge Integration57Rational design of infrared nonlinear optical chalcogenides by chemical substitution287Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material69A highly distorted HgS 4 tetrahedron-induced moderate second-harmonic generation response of EuHgGeS 462Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement97Lead 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 Materials55Hexagonal In2Se3: A Defect Wurtzite-Type Infrared Nonlinear Optical Material with Moderate Birefringence Contributed by Unique InSe5 Unit75A2SnS5: A Structural Incommensurate Modulation Exhibiting Strong Second‐Harmonic Generation and a High Laser‐Induced Damage Threshold (A=Ba, Sr)86HgCuPS4: An Exceptional Infrared Nonlinear Optical Material with Defect Diamond-like Structure146A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Partial Isovalent Anion Substitution to Access Remarkable Second-Harmonic Generation Response: A Generic and Effective Strategy for Design of Infrared Nonlinear Optical Materials114Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials131Measuring the nonlinear optical properties of indium tin oxide thin film using femtosecond laser pulses64Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides114Salt-Inclusion Chalcogenide [Ba4Cl2][ZnGa4S10]: Rational Design of an IR Nonlinear Optical Material with Superior Comprehensive Performance Derived from AgGaS2134α‑Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response158Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects78Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75Ba(MoO 2 F) 2 (QO 3 ) 2 (Q = Se, Te): Partial Fluorination of MoO 6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response69From Memristive Materials to Neural Networks87Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li 4 CdSn 2 S 779EuHgGeSe 4 and EuHgSnS 4 : Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses55From AgGaS 2 to AgHgPS 4 : vacancy defects and highly distorted HgS 4 tetrahedra double-induced remarkable second-harmonic generation response68A novel promising infrared nonlinear optical selenide KAg 3 Ga 8 Se 14 designed from benchmark AgGaQ 2 (Q = S, Se)55A review on the recently developed promising infrared nonlinear optical materials103Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering145M 2 As 2 Q 5 (M = Ba, Pb; Q = S, Se): a source of infrared nonlinear optical materials with excellent overall performance activated by multiple discrete arsenate anions70Recent progress in oxychalcogenides as IR nonlinear optical materials79A comprehensive survey on nonlinear optical phosphates: Role of multicoordinate groups106Integrated photon-pair sources with nonlinear optics121Two‐Dimensional Metal Telluride Atomic Crystals: Preparation, Physical Properties, and Applications59AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−58Barium nonlinear optical crystals for the mid-IR: characterization and some applications75Mg 2 In 3 Si 2 P 7 : A Quaternary Diamond-like Phosphide Infrared Nonlinear Optical Material Derived from ZnGeP 2130Recent advances in nonlinear optical rare earth structures63Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap214A Congruent‐Melting Mid‐Infrared Nonlinear Optical Vanadate Exhibiting Strong Second‐Harmonic Generation64Hg 3 P 2 S 8 : A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold111Giant Second-Harmonic Generation Response and Large Band Gap in the Partially Fluorinated Mid-Infrared Oxide RbTeMo 2 O 8 F150Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Li2MTeO6 (M=Ti, Sn): Mid‐Infrared Nonlinear Optical Crystal with Strong Second Harmonic Generation Response and Wide Transparency Range72Complex coordinated functional groups: A great genes for nonlinear optical materials65Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks63Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties69Unprecedented mid-infrared nonlinear optical materials achieved by crystal structure engineering, a case study of (KX)P 2 S 6 (X = Sb, Bi, Ba)59Toward the Rational Design of Mid‐Infrared Nonlinear Optical Materials with Targeted Properties via a Multi‐Level Data‐Driven Approach111Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2212Enhanced Second-Harmonic-Generation Efficiency and Birefringence in Melillite Oxychalcogenides Sr2MGe2OS6 (M = Mn, Zn, and Cd)97The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material105Resistive switching in emerging materials and their characteristics for neuromorphic computing65RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications115Mixed-Anion-Oriented Design of LnMGa3S6O (Ln = La, Pr, and Nd; M = Ca and Sr) Nonlinear Optical Oxysulfides with Targeted Property Balance56Isoreticular Design of KTiOPO 4 -Like Deep-Ultraviolet Transparent Materials Exhibiting Strong Second-Harmonic Generation68Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Rational Design of a Rare‐Earth Oxychalcogenide Nd3[Ga3O3S3][Ge2O7] with Superior Infrared Nonlinear Optical Performance64Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance57A Machine Learning Study on High Thermal Conductivity Assisted to Discover Chalcogenides with Balanced Infrared Nonlinear Optical Performance59Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate70Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109

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