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RESEARCH PAPER · Chemical Science · 2024

Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate

Ping Feng, Jiaxiang Zhang, Mao‐Yin Ran, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidateOriginalChemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement16Rare-earth chalcogenidotetrachloride clusters (RE3ECl4, RE = Dy, Gd, Y; E = S, Se, Te): syntheses and materials properties4The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution28Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66Ag 2 GeS 3 : A Diamond‐Like Chalcogenide as an IR Nonlinear Optical Material with Outstanding Second‐Harmonic Generation Response28Large Mid-Infrared Second-Harmonic Generation in Eu(II)-Based Quaternary Chalcogenides19Realizing Excellent Infrared Nonlinear Optical Performance in Eu-Based Chalcogenides via Rational Cross Substitution Strategy26Learning From Nature: The Rational Non‐Centrosymmetric Structural Design in the Honeycomb‐Like Gaudefroyite Family23Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters0From [Ba3S][GeS4] to [Ba3CO3][MS4] (M = Ge, Sn): Enhancing optical anisotropy in IR birefringent crystals via functional group implantation11Balanced IR Nonlinear Optical Performance Achieved by Cation–Anion Module Cosubstitution in V-Based Salt-Inclusion Oxychalcogenides22Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14A potential UV nonlinear-optical crystal with a strong second-harmonic response: RbNa 2 Eu 2 (BO 3 ) 35Construction and characterization of rare earth complexes for efficient emission tuning by tetraethyl ethylenebisphosphonate and tridentate chelating nitrogen ligands0Designing infrared nonlinear optical crystals, Sr 2 MgSn 2 OS 6 and Sr 2 SnGa 2 OS 6 , with hybrid anionic frameworks via a double substitution strategy4Exploration of nonlinear optical materials by introducing information science4Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units18Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides11Prismatic crystal field stabilized divalent rare-earth chalcogenide REIIBII6CIII6QVI16 with bifunctionality30Structural diversity and photocurrent responses of multi-component chalcogenidometalates8High-Efficiency, Long-Lived, Multicolor Tunable Pure Organic Materials for Dual Fluorescent-Phosphorescent Emission at Room Temperature4First-Principles High-Throughput Screening and Experimental Verification of III-VIB Transition Metal Chalcogenides Nonlinear Optical Crystals15Chalcophosphates: A plentiful source of infrared nonlinear optical materials42Boosting water-splitting efficiency: innovative CNTs-infused erbium selenide electrocatalyst for alkaline media4Eu(II)‐Based Quaternary Chalcogenides with Noncentrosymmetric Structures Stabilized by Site Disorder of d10 Metal Cations4Non-centrosymmetric Y3FeGaSe7 and Y3Mn0·5SiSe7 with extremely low thermal conductivities2Noncentrosymmetric Mixed Chalcogenide Semiconductors La3Ga1.67(S1–xSex)71Recent progress in structural design strategies of high-birefringence optical crystals54Metastable Ag–Ln–S Nanocrystals with Ordered Cations and Vacancies Form through Structure-Templating Ag 2 S Intermediate4KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response9Ternary Antimony Selenide Semiconductors: Synthesis, Crystal Structure, Electronic Structure, and Optical Properties5Magnetic Properties and Large Second-Harmonic Generation Response of a Chiral Ternary Chalcogenide: Eu 2 SiSe 48CaYIIIS 4 (III = Ga, In): Two Olivine-Type Compounds Exhibiting Exceptional Birefringence Properties1AlGaSe3: Tuning Stability via Partial Cation Substitution and Achieving a Nonlinear Optical Property Leap6Recent Development in Emerging 2D Rare Earth Materials: Compositions, Syntheses, and Applications7Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs29Nonlinear Optical Response of La-Doped VTe2 Nanomaterials for Optical Limiter8LnEuGa3OS6 (Ln = La, Pr, Nd): three dual rare earth metal-based oxychalcogenides with good IR nonlinear optical performances1Tuning radical structures and nonlinear optical properties of benzoanthanthrenyl/phenalenyl heterodimers under external electric field0Ce-centered polyhedral arrangement pattern and optical performance in Ce-based nonlinear optical materials3A high-performance IR nonlinear optical material Sr 3 MnGe 2 S 8 achieved via partial cation substitution-induced structural transformation2Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12Synthesis, Crystal Growth, Linear, and Nonlinear Optical Properties of Water-Grown Giant Optical Anisotropic Thiocyanates ABi(SCN) 4 (A = Rb, Cs)3A Homoatomic Heteroleptic Coordination Strategy for Exceptional Infrared Linear and Nonlinear Optical Properties in ANb 2 PS 4 (S 2 ) 3 (A = K,Rb,Cs)3Polyhedral replacement-guided design of Ce3MnGaSe7 featuring strong second-harmonic genera-tion and high laser-induced damage threshold0Tailoring linear and nonlinear optical properties of 2D Sc 2 C MXenes via surface termination modulation0First-principles study of the electronic, optical, and thermodynamic behavior of TlYbSe₂ for advanced optoelectronic and thermodynamic applications1Interplay between Cu Delocalization and Bonding Anisotropy on the Thermoelectric Performance of Double-Cation Chalcohalides CuBiSeX 2 (X = Cl, Br)1First-principles exploration of quasi-2D LuSeF: Structural stability and multifunctional physical properties from HSE06 hybrid-functional calculations2Crystal and band energy structure of Nd1.5Y(Tb)1.5Ga1.67S7 sulfide2Structure and transport properties of indium selenide thin films grown by sputtering: effect of post-deposition annealing0Pr4-m-nTbmErnGe3S12: From structure to properties0Structural stability and compressibility behaviour of rare-earth ditellurides under pressure0Circumventing the Eg–SHG trade-off in selenides: Salt-inclusion [X4Br2][MGa4Se10] with concurrent large band gap and strong nonlinear optical response1Density functional theory study of Sc8S12 and Sm8S12 as photocatalysts for water splitting0Spin-Resolved Second-Harmonic Generation from Europium 4f/5d States in a Weakly Stabilized Metastable Polymorph of Eu 2 P 2 S 60Heterovalent Coexistence‐Driven Symmetry Breaking and Dimensional Evolution: Designing Polar Heart‐Shaped Channels for Exceptional MFIR Nonlinear Optics5Structural origins of the thermal properties of Ba2BiInSe50Salt-Inclusion Rare-Earth Chalcogenides: Exploring Infrared Nonlinear Optical Crystals via a Guest-Framework Modulation Strategy0First-principles investigation of structural, electronic, thermal, and optical properties of three dimensional mixed-anion LuSeF1Optical, Photoelectric, and Electrocatalytic Properties of Quaternary Sulfides RE 3 M 1– x SnS 7 ( RE = La–Nd; M = Ti–Cu, Cd)1Ce(2,2′-bipyridyl)3(SCN)3: Lanthanide Coordination- and Hydrogen-Bond-Directed Binary π-Conjugated Assemblies with Synergistic Large Birefringence and Broad Transparency0Theoretical Investigation of the Structural Stability and Optoelectronic Properties of La 2 HfSe 50EuMn6Ga6S16: A Wide Bandgap Europium-Based Nonlinear Optical Sulfide0Synthesis, structure, optical properties, and magnetic behavior of layered heavy rare-earth thiogermanates CsDyGeS4 and CsErGeS40From AgGaSe2 to MIIGa2Se4 (MII = Zn, Cd): Heterovalent Substitution Creates Ordered Vacancies for Balanced IR-NLO Performance0Beyond the bandgap bottleneck: structure–property design principles for infrared nonlinear optical phosphides0Synthesis and Magnetic Properties of a Ba6Cu24– x Fe x Se27 Solid Solution with the Bartonite Structure Type0Y2CdX4 (X = S, Se, Te) as tunable Semiconductors: Linking structure, bonding, and energy applications by DFT0

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