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RESEARCH PAPER · Dalton Transactions · 2017

Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses

Guangmao Li, Qiong Liu, Kui Wu, Zhihua Yang, Shilie Pan

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Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responsesOriginalBaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters8Two excellent phase-matchable infrared nonlinear optical materials based on 3D diamond-like frameworks: RbGaSn 2 Se 6 and RbInSn 2 Se 639Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Na2ZnSn2S6: A mixed-metal thiostannate with large second-harmonic generation response activated by penta-tetrahedral [ZnSn4S14]10− clusters10Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks65New quaternary thallium indium germanium selenide TlInGe 2 Se 6 : Crystal and electronic structure20Thallium indium germanium sulphide (TlInGe2S6) as efficient material for nonlinear optical application20Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 763Four alkali metal molybdates with two types of Mo–O chains, ABMo 3 O 10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties10Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Na 6 Zn 3 MIII2Q 9 (M III = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T 3 -clusters and desirable photoluminescence performances31NaBaM III Q 3 (M III = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MIII2Q 6 ) 6− dimers8Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds76Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)13Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O,O,O-cadmium(II) single crystals4Cs2Ge3In6Se14: A Structure Transformation Driven by the Size Preference and Its Properties8Electronic, bonding, linear, and nonlinear optical properties of Na2MGe2Q6 (M=Cd, Zn, Hg; Q=S, Se), Na2ZnSi2S6, and Na2ZnSn2S6 two metal-mixed chalcogenide compounds: Insights from an ab initio study21TlInGe2S6, A Prospective Nonlinear Optical Material: First-Principles DFT Calculations of the Electronic Structure and Optical Properties14K2ZnGe3S8: A Congruent-Melting Infrared Nonlinear-Optical Material with a Large Band Gap41Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework41Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS434First-principles DFT calculations of the electronic structure and optical properties of TlInGe2Se6, a prospective NLO material24Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances252Ba10Zn7M6Q26: Two New Mid-infrared Nonlinear Optical Crystals with T2 Supertetrahedron 3D Framework11Electronic band structure and basic optical constants of TlGaSn2Se6, a promising NLO semiconductor: First-principles calculations under DFT framework12Adjustable optical nonlinearity in d 10 cations containing chalcogenides via dp hybridization interaction13Investigation on two new antimony-based quaternary chalcogenides: Na 6 CdSb 4 S 10 and Na 3 CdSbSe 41Mn-Based tin sulfide Sr 3 MnSn 2 S 8 with a wide band gap and strong nonlinear optical response30Pb 7 F 12 Cl 2 : a promising infrared nonlinear optical material with high laser damage threshold19Synthesis, crystal structures and nonlinear optical properties of β-RbCdI 3 ·H 2 O and CsCdI 3 ·H 2 O8[Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study18Synthesis, Structure, and Characterization of Two Mixed-Cation Quaternary Chalcogenides K2BaSnQ4 (Q = S, Se)19Solvothermal syntheses, characterizations and semiconducting properties of four quaternary thioargentates Ba2AgInS4, Ba3Ag2Sn2S8, BaAg2MS4 (M = Sn, Ge)21Vibration uncoupling of germanium with different valence states lowers thermal conductivity of Cs2Ge3Ga6Se1410Solvothermal Syntheses and Characterizations of Four Quaternary Copper Sulfides BaCu3MS4 (M = In, Ga) and BaCu2MS4 (M = Sn, Ge)27New cation-disordered quaternary selenides Tl2Ga2 TtSe6 (Tt=Ge, Sn)6Rational design of infrared nonlinear optical chalcogenides by chemical substitution287A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties59Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr 6 A 4 M 4 S 16 (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials28Li 2 CdSiS 4 , a promising IR NLO material with a balanced E g and SHG response originating from the effect of Cd with d 10 configuration36Strong nonlinear optical effect attained by atom-response-theory aided design in the Na 2 M II MIV2Q 6 (M II = Zn, Cd; M IV = Ge, Sn; Q = S, Se) chalcogenide system27Mild solvothermal syntheses and characterizations of two layered sulfides Ba2Cu2Cd2S5 and Ba3Cu4Hg4S915Cd4SiQ6 (Q = S, Se): Ternary Infrared Nonlinear Optical Materials with Mixed Functional Building Motifs21Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials130Syntheses, structural variants and characterization of A2ZnSn3S8 (A = Cs, Rb) and A2CdSn3S8 (A = Cs, Rb, K, Na) compounds18Ultralow thermal conductivity in the quaternary semiconducting chalcogenide Cs 4 [Ho 26 Cd 7 Se 48 ] with an unprecedented closed cavity architecture7A series of M 3 PS 4 (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities28Design and synthesis of Ba 3 SiSe 5 with suitable birefringence modulated via M IV atoms in the Ba–M IV –Q (M IV = Si, Ge; Q = S, Se) system3Na 6 MQ 4 (M=Zn, Cd; Q=S, Se): Promising New Ternary Infrared Nonlinear Optical Materials24Temperature controlling valance changes of crystalline thioarsenates and thioantimonates21α-Ca2CdP2 and β-Ca2CdP2: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps30BaCdGeSe4: Synthesis, structure and nonlinear optical properties13Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Rational combination of multiple structural groups on regulating nonlinear optical property in hexagonal Ln3MGeS7 polar crystals10Alkali metal partial substitution-induced improved second-harmonic generation and enhanced laser-induced damage threshold for Ag-based sulfides21Infrared nonlinear optical sulfide CsCd 4 In 5 S 12 exhibiting large second harmonic generation response16Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: d10 Metal; M: Main Group Metal; Q: Chalcogen) System44Cluster‐Glass for Low‐Cost White‐Light Emission21A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response34From 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 transparency21HgB2S4: A d10 Metal Thioborate with Giant Birefringence and Wide Band Gap31First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications27AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence9Transition Metal Germanium Chalcogenide Materials: Solvothermal Syntheses, Flexible Crystal, Structures, and Photoelectric Response Property12Hg3Se(SeO3)(SO4): A Mixed-Valent Selenium Compound with Mid-Infrared Transmittance Obtained by In Situ Reaction26[Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response21Infrared nonlinear optical materials with multiple strongly ionic cations5Hg 2 (SeO 3 )(TeO 3 ): a novel tellurite–selenite birefringent crystal achieved by assembling multiple functional groups11Isothermal Sections Tl2se–Cdse–Si(Ge)Se2, Quasi-Binary Systems Tl2si(Ge)Se3–Cdse, Tl2cdgese4–Gese2 and the Crystal Structure, Electronic and Optical Properties of Novel Quaternary Selenides Tl2cdsi(Ge)3se81Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation3SrZnSiS4: Shattering the 4.0 eV Threshold toward Dual-Optimized Bandgap and Second-Harmonic Generation5A mercury-based selenite with wide bandgap and moderate birefringence via cation substitution and partial fluorination1高性能硫属化物红外非线性光学材料构效关系（特邀）0Isothermal sections Tl2Se–CdSe–DIVSe2 (DIV – Si, Ge), quasi-binary systems Tl2DIVSe3–CdSe, Tl2CdGeSe4–GeSe2 and the crystal structure, electronic and optical properties of novel quaternary selenides Tl2CdDIV3Se80

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  2. Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters

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  3. Two excellent phase-matchable infrared nonlinear optical materials based on 3D diamond-like frameworks: RbGaSn 2 Se 6 and RbInSn 2 Se 6

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  4. Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship

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  5. Na2ZnSn2S6: A mixed-metal thiostannate with large second-harmonic generation response activated by penta-tetrahedral [ZnSn4S14]10− clusters

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  6. Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks

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  7. New quaternary thallium indium germanium selenide TlInGe 2 Se 6 : Crystal and electronic structure

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  8. Thallium indium germanium sulphide (TlInGe2S6) as efficient material for nonlinear optical application

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  9. Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 7

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  10. Four alkali metal molybdates with two types of Mo–O chains, ABMo 3 O 10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties

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  11. Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation

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  12. Na 6 Zn 3 MIII2Q 9 (M III = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T 3 -clusters and desirable photoluminescence performances

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  13. NaBaM III Q 3 (M III = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MIII2Q 6 ) 6− dimers

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  14. Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds

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  15. Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)

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  16. Growth and physicochemical properties of organometallic (DL)-trithioureatartrato-O,O,O-cadmium(II) single crystals

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  17. Cs2Ge3In6Se14: A Structure Transformation Driven by the Size Preference and Its Properties

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  18. Electronic, bonding, linear, and nonlinear optical properties of Na2MGe2Q6 (M=Cd, Zn, Hg; Q=S, Se), Na2ZnSi2S6, and Na2ZnSn2S6 two metal-mixed chalcogenide compounds: Insights from an ab initio study

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  19. TlInGe2S6, A Prospective Nonlinear Optical Material: First-Principles DFT Calculations of the Electronic Structure and Optical Properties

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  20. K2ZnGe3S8: A Congruent-Melting Infrared Nonlinear-Optical Material with a Large Band Gap

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  22. Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS4

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  24. Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S16

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  28. Adjustable optical nonlinearity in d 10 cations containing chalcogenides via dp hybridization interaction

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  29. Investigation on two new antimony-based quaternary chalcogenides: Na 6 CdSb 4 S 10 and Na 3 CdSbSe 4

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  31. Pb 7 F 12 Cl 2 : a promising infrared nonlinear optical material with high laser damage threshold

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  37. Solvothermal Syntheses and Characterizations of Four Quaternary Copper Sulfides BaCu3MS4 (M = In, Ga) and BaCu2MS4 (M = Sn, Ge)

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  39. Rational design of infrared nonlinear optical chalcogenides by chemical substitution

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  43. Strong nonlinear optical effect attained by atom-response-theory aided design in the Na 2 M II MIV2Q 6 (M II = Zn, Cd; M IV = Ge, Sn; Q = S, Se) chalcogenide system

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  44. Mild solvothermal syntheses and characterizations of two layered sulfides Ba2Cu2Cd2S5 and Ba3Cu4Hg4S9

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  46. Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials

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  47. Syntheses, structural variants and characterization of A2ZnSn3S8 (A = Cs, Rb) and A2CdSn3S8 (A = Cs, Rb, K, Na) compounds

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  48. Ultralow thermal conductivity in the quaternary semiconducting chalcogenide Cs 4 [Ho 26 Cd 7 Se 48 ] with an unprecedented closed cavity architecture

    Inorganic Chemistry Frontiers · 2020-12-08

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  49. A series of M 3 PS 4 (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities

    Dalton Transactions · 2021-01-01

    Ya Feng Yang, Bingbing Zhang, Xiaowen Wu, Kui Wu

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  50. Design and synthesis of Ba 3 SiSe 5 with suitable birefringence modulated via M IV atoms in the Ba–M IV –Q (M IV = Si, Ge; Q = S, Se) system

    Dalton Transactions · 2021-01-01

    Huanhuan Cheng, Abudukadi Tudi, Peng Wang, Kewang Zhang, Zhihua Yang, Shilie Pan

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