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RESEARCH PAPER · Chemistry of Materials · 2021

Unique Unilateral-Chelated Mode-Induced d–p−π Interaction Enhances Second-Harmonic Generation Response in New Ln3LiMS7 Family

Ya Feng Yang, Yu Chu, Bingbing Zhang, Kui Wu, Shilie Pan

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Unique Unilateral-Chelated Mode-Induced d–p−π Interaction Enhances Second-Harmonic Generation Response in New Ln3LiMS7 FamilyOriginalSynthesis-enabled exploration of chiral and polar multivalent quaternary sulfides37Structural Transformation and Second-Harmonic-Generation Activity in Rare-Earth and d0 Transition-Metal Oxysulfides RE3NbS3O4 (RE = Ce, Sm, Gd, Dy)38Synthesis, Crystal Growth, Electronic Properties and Optical Properties of Y6IV2.5S14 (IV=Si, Ge)9Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks63Rational combination of multiple structural groups on regulating nonlinear optical property in hexagonal Ln3MGeS7 polar crystals10Homovalent Cation Substitutions Leading to New Lithium-Containing La3cusis7 Family Members Having Chiral, Uniaxial Structures and Exhibiting Second- and Third-Harmonic Generation7Na 4 Ga 8 S 14 : a Ga-enriched wide band gap ternary alkali-metal sulfide with unique [Ga 12 S 42 ] 12-membered rings2Pd and octahedra do not get along: Square planar [PdS4] units in non-centrosymmetric La6PdSi2S1419Ba6(CuxZy)Sn4S16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn): High Chemical Flexibility Resulting in Good Nonlinear-Optical Properties12Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold14First Investigation of Nonlinear Optical Oxychalcogenide with Three‐Dimensional Anionic Framework and Special Windmill‐Like Functional Motifs †28A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114Enhanced Second-Harmonic Generation of van der Waals CuInP 2 S 6 via Pressure-Regulated Cationic Displacement61Na 2 Ba[Na 2 Sn 2 S 7 ]: Structural Tolerance Factor‐Guided NLO Performance Improvement50Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement0AgIn 5 Se 8 : a defect diamond-like non-linear optical selenide21LaAeAl 3 S 7 (Ae = Ca, Sr): Cairo pentagonal layered thioaluminates achieving a good balance between a strong second harmonic generation response and a wide bandgap23Visualizing the alignment of lone pair electrons in La 3 AsS 5 Br 2 and La 5 As 2 S 9 Cl 3 to form an acentric or centrosymmetric structure10Crystal Structures and Property Measurements of Rare Earth Magnesium Thiosilicates Synthesized via Flux Crystal Growth Utilizing the Boron Chalcogen Mixture (BCM) Method15Nonlinear Optical Sulfides LiMGa8S14 (M = Rb/Ba, Cs/Ba) Created by Li+ Driven 2D Centrosymmetric to 3D Noncentrosymmetric Transformation20Synthesis, Structure, and optical properties of Y3GaGe0.5S7: A new member in the polar R3MTQ7 family4Boron Chalcogen Mixture Method-Assisted Alkali Halide Flux Crystal Growth of an Extensive Family of Quaternary Rare Earth Transition-Metal Thiosilicates: Investigation of Their Structures and Magnetic Properties9Chemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement16Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate70Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides44Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”36LiLnGeS 4 (Ln=La−Nd): Designing High Performance Infrared Nonlinear Optical Sulfides through “Band Reformation of AGS”5LaAgSiS4: Increasing Optical Birefringence in Rare Earth Chalcogenide by Addition of Planar [AgS3] Groups5Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Ca 2 La(MS 4 )(BS 3 ) (M = Ge/Si and Sn/Si): high-performance infrared nonlinear optical materials designed using an atomic site co-occupancy strategy9Synthesis, Crystal, and Electronic Structures, and Second Harmonic Generation of La4Ge3S121Noncentrosymmetric Mixed Chalcogenide Semiconductors La3Ga1.67(S1–xSex)71Crystal Growth of Quaternary Rare Earth Selenosilicates by Using the Flux-Assisted Boron Chalcogen Mixture Method: Investigation of Their Magnetic and Optical Properties10La3Ga5HfO14: Rare-Earth Polyhedron Coupled with Structural Protected Octahedron for Designing Nonlinear Optical Material with Wide Bandgap and Well-Balanced Properties5Polyhedral replacement-guided design of Ce3MnGaSe7 featuring strong second-harmonic genera-tion and high laser-induced damage threshold0高性能硫属化物红外非线性光学材料构效关系（特邀）0CdY 2 Si 2 S 8 : A Wide Bandgap IR NLO Material with d 10 Metal-Induced Structure Transformation from CS to NCS1Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics5Synthesis and Characterization of RE 3 LiSiSe 7 (RE = La–Nd, Sm, Gd, and Tb) Exhibiting Enhanced Nonlinear Optical (NLO) Properties0Optical, Photoelectric, and Electrocatalytic Properties of Quaternary Sulfides RE 3 M 1– x SnS 7 ( RE = La–Nd; M = Ti–Cu, Cd)1

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  9. Ba6(CuxZy)Sn4S16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn): High Chemical Flexibility Resulting in Good Nonlinear-Optical Properties

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  13. Enhanced Second-Harmonic Generation of van der Waals CuInP 2 S 6 via Pressure-Regulated Cationic Displacement

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  14. Na 2 Ba[Na 2 Sn 2 S 7 ]: Structural Tolerance Factor‐Guided NLO Performance Improvement

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