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RESEARCH PAPER · Dalton Transactions · 2015

An 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 6

Kui Wu, Xin Su, Zhihua Yang, Shilie Pan

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An 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 6OriginalCrystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS 326Recent achievements on middle and far-infrared second-order nonlinear optical materials433Alkali earth MO x ( x = 6, 7, 9, 12) polyhedra tuned cadmium selenites with different dimensions and diverse SeO 3 2− coordinations1Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity44BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Band gap tuning from an indirect EuGa 2 S 4 to a direct EuZnGeS 4 semiconductor: syntheses, crystal and electronic structures, and optical properties20Na 6 Si 3 S 8 O: the first example of a sulfide silicate exhibiting unusual tri-polymerized [Si 3 S 8 O] 6− units without S–O bonds8Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 252Noncentrosymmetric chalcogenides BaZnSiSe4 and BaZnGeSe4 featuring one-dimensional structures56Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137Room‐Temperature Synthesis of Three Compounds Featuring the [Ge4S10]4– Anion from a Water‐Soluble Thiogermanate Precursor7Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Structural 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)13Synthesis, structure, magnetic and optoelectric properties of layered NaM0.5Sn0.5S2 (M= Mn, Fe)1Effect 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)63Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework41Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 452Two rare-earth-based quaternary chalcogenides EuCdGeQ 4 (Q = S, Se) with strong second-harmonic generation66SrCdGeS4 and SrCdGeSe4: Promising Infrared Nonlinear Optical Materials with Congruent-Melting Behavior74BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Synthesis and Characterization of Ba2Ag2Se2(Se2)23AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability76Synthesis, crystal structure, and electronic structure of Ba2GeTe3(Te2)12Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A 2 GeSe 4 (A = Mg, Ca and γ -Sr) from first principles7Rational design of infrared nonlinear optical chalcogenides by chemical substitution287A highly distorted HgS 4 tetrahedron-induced moderate second-harmonic generation response of EuHgGeS 462Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture33New quaternary chalcogenide Ba 4 HgAs 2 S 10 originating from the combination of linear [HgS 2 ] 2− and tetrahedral [AsS 4 ] 3− modules8Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability16Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials131Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations17Thermal Properties of the Quaternary Chalcogenide BaCdSnSe44EuHgGeSe 4 and EuHgSnS 4 : Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses55First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A 2 GeSe 4 (A = Mg; γ -Sr) surfaces for a promising visible light photocatalytic application3Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials47Design 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 4 SnS 4 and Na 4 SnSe 4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors27Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba 4 GaS 4 F 311Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K 2 HgSnSe 4 and three-dimensional Na 6 Cu 8 Sn 3 Se 1323SrZnSnSe4: Synthesis, crystal structure and nonlinear optical properties14BaCdGeSe4: Synthesis, structure and nonlinear optical properties13Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap214Li4MgGe2S7: The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap16Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)12Structural modification from centrosymmetric Rb 4 Hg 2 Ge 2 S 8 to noncentrosymmetric (Na 3 Rb)Hg 2 Ge 2 S 8 : mixed alkali metals strategy for infrared nonlinear optical material design28Five coordinated Mn in Ba 4 Mn 2 Si 2 Te 9 : synthesis, crystal structure, physical properties, and electronic structure10Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties69Strong Photoelectric Properties of Mn-Based Seleniumstannates with Alkali Metals as Structure-Directing Agents5SrZnSnSe4: A quaternary selenide with large second harmonic generation and birefringence40The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material105SrZnGeS 4 : A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions88SrZnGeS4: A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions12Ab initio study of the optoelectronic properties of α-Ba2SnS46The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps68Ba6Ge2Se12 and Ba7Ge2Se17: Two Centrosymmetric Barium Seleno-Germanates with Polyatomic Anion Disorder6Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Crystal structure, phase width, and physical properties of the barium tetrel selenides Ba 6 Si 2− x Ge x Se 12 ( x = 0, 0.5, 1, and 1.5) with ultralow thermal conductivity3Ba3GeTeS4: A new quaternary heteroanionic chalcogenide semiconductor8Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe 4 to SrZnSiSe 423First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications27Halide-Induced Band Gap Enhancement from Ba2SnSe4 to KBa2SnSe4Cl2BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Ba8Zr2Se11(Se2): The first polychalcogenide of the ternary Ba–Zr–Q (Q = S/Se/Te) system11A ll HgM IV S 4 (A ll = Sr, Ba, M IV = Si, Ge): A Series of Materials with Large Second Harmonic Generation Response and Wide Band Gaps28Fast Mg-ion insertion kinetics in V 2 Se 97Rare-earth oxychalcogenide Eu 2 ZnGe 2 OS 6 : a phase-matching infrared nonlinear optical material with [GeOS 3 ] units7Structural, Elastic, Mechanical, Electronic, and Optical Properties of a Novel Quaternary Chalcogenide Semiconductor Ba3GeTeS41Comparative Analysis of the Crystal Structures and Physical Properties of the Complex Group 14 Selenides Sr8Ge4Se17 and Ba8Sn4Se172Diffusion dominant thermal transport in mixed valent Ba4Sn4Se93Are Selenides the Same as Sulfides? Structure, Spectroscopy, and Properties of Narrow-Gap Rare-Earth Semiconductors RE2Sn(S1–xSex)5 (RE = La, Ce; x = 0–0.8)7K2HgGe3Se8: A Quaternary Hg-Based Selenide with Nonlinear Optical Properties6Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides30First-Principles Study of the Mechanical, Electronic, and Optical Properties of Ternary Chalcogenide Compounds5Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds5Design strategies for liquid-phase synthesis of sodium-based quaternary solid-state electrolytes0Isovalent cation substitution drives structural transformation and infrared nonlinear optical activity in Eu-based chalcogenides11Two ternary chalcostannates Ba 3 Sn 2 Q 7 ( Q = S and Se): syntheses, crystal structures, and photovoltaic studies2Cd5As2Br4: A Ternary Arsenide with Nonlinear Optical Property3Ionothermal syntheses, structures, and photocurrent responses of two-dimensional layered thiostannates1Synergically Assembling Advantageous Groups toward High‐Performance Infrared Nonlinear Optical Materials A II CdSiSe 4 (A II = Sr, Ba)41Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties3Nonbonding Electron Inversion‐Driven Structural Engineering: Synergistic Enhancement of Linear and Nonlinear Optical Properties26Synthesis, Ion Exchange, and Nonlinear Optical Properties of Different Dimension Chalcogenidostannates Driven by StructureDirecting Agents1Establishement of generalized empirical force-fields for sulfide glasses and crystals used as superionic electrolytes in all-solid-state batteries0SrZnGeSe4: An Infrared Nonlinear Optical Crystal Material with Wide Transmission Range and Large SHG Response7Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6ABCQ4型硫属化物红外非线性光学材料的构效关系（特邀）0SrMnGeS 4 : A Two-Dimensional Layered Chalcogenide with Magnetic Triangular Lattice0Design Rules and Discovery of Face-Sharing Hexagonal Perovskites2Mg Substitution in BaGa 4 Se 7 : Synthesis, Structure, and Property Modulation2Synergistic Distortion Engineering: Activating Nonlinear Optical Response in Quaternary Chalcogenides via Lattice‐Induced [MnS 4 ] Asymmetry2Heterometallic Ge–O–Sn-Bridged Oxychalcogenides Sr3GeSnO4Q3 (Q = S, Se) with Wide Band Gaps and Moderate Infrared Nonlinear Optical Responses0NaGa2PS6: A Noncentrosymmetric Thiophosphate with Wide Band Gap and High Laser-Induced Damage Threshold0Investigating Nonlinear Optical and Thermal Properties in Sr2SiSe4 through Noncentrosymmetric Crystal Structure Comparison with Sr2SnSe41

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  1. Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS 3

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  2. Recent achievements on middle and far-infrared second-order nonlinear optical materials

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  3. Alkali earth MO x ( x = 6, 7, 9, 12) polyhedra tuned cadmium selenites with different dimensions and diverse SeO 3 2− coordinations

    CrystEngComm · 2017-01-01

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  4. Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity

    Journal of Materials Chemistry C · 2017-01-01

    Ruihuan Duan, Pengfei Liu, Hua Lin, Yi‐Wen Zheng, Ju‐Song Yu, Xin‐Tao Wu, Shangxiong Huangfu, Ling Chen

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  5. BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations

    RSC Advances · 2017-01-01

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  6. Band gap tuning from an indirect EuGa 2 S 4 to a direct EuZnGeS 4 semiconductor: syntheses, crystal and electronic structures, and optical properties

    RSC Advances · 2017-01-01

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  7. Na 6 Si 3 S 8 O: the first example of a sulfide silicate exhibiting unusual tri-polymerized [Si 3 S 8 O] 6− units without S–O bonds

    Dalton Transactions · 2017-01-01

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  8. Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 2

    Dalton Transactions · 2017-01-01

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  9. Noncentrosymmetric chalcogenides BaZnSiSe4 and BaZnGeSe4 featuring one-dimensional structures

    Journal of Alloys and Compounds · 2017-03-05

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

    Crystal Growth & Design · 2017-03-15

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  11. Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13

    Journal of Solid State Chemistry · 2017-08-16

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  12. Room‐Temperature Synthesis of Three Compounds Featuring the [Ge4S10]4– Anion from a Water‐Soluble Thiogermanate Precursor

    European Journal of Inorganic Chemistry · 2017-08-31

    Felix Danker, Christian Näther, Florian Pielnhofer, Wolfgang Bensch

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  13. 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

    New Journal of Chemistry · 2018-01-01

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  14. 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)

    Dalton Transactions · 2018-01-01

    Ruijiao Chen, Xiaowen Wu, Zhi Su

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  15. Synthesis, structure, magnetic and optoelectric properties of layered NaM0.5Sn0.5S2 (M= Mn, Fe)

    Journal of Alloys and Compounds · 2018-02-23

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  16. Effect 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)

    Inorganic Chemistry · 2018-03-06

    Leyan Nian, Kui Wu, Guijie He, Zhihua Yang, Shilie Pan

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  17. Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework

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  18. Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 4

    Journal of Materials Chemistry C · 2019-01-01

    Yiling Zhang, Dajiang Mei, Yi Jin Yang, Wangzhu Cao, Yuandong Wu, Jie Lü, Zheshuai Lin

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  19. Two rare-earth-based quaternary chalcogenides EuCdGeQ 4 (Q = S, Se) with strong second-harmonic generation

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  20. SrCdGeS4 and SrCdGeSe4: Promising Infrared Nonlinear Optical Materials with Congruent-Melting Behavior

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  21. BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials

    Chemistry of Materials · 2019-04-01

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  22. Synthesis and Characterization of Ba2Ag2Se2(Se2)

    Inorganic Chemistry · 2019-06-04

    Subhendu Jana, Mohd Ishtiyak, Adel Mesbah, Sébastien Lebègue∥, Jai Prakash, Christos D. Malliakas, James A. Ibers

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  23. AHgSnQ4 (A = Sr, Ba; Q = S, Se): A Series of Hg-Based Infrared Nonlinear-Optical Materials with Strong Second-Harmonic-Generation Response and Good Phase Matchability

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  24. Synthesis, crystal structure, and electronic structure of Ba2GeTe3(Te2)

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  25. Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A 2 GeSe 4 (A = Mg, Ca and γ -Sr) from first principles

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

    Coordination Chemistry Reviews · 2019-12-21

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  27. A highly distorted HgS 4 tetrahedron-induced moderate second-harmonic generation response of EuHgGeS 4

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  28. Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture

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  29. New quaternary chalcogenide Ba 4 HgAs 2 S 10 originating from the combination of linear [HgS 2 ] 2− and tetrahedral [AsS 4 ] 3− modules

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  30. Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability

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

    Coordination Chemistry Reviews · 2020-06-29

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  32. Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations

    Inorganic Chemistry · 2020-09-28

    Luke T. Menezes, Abdeljalil Assoud, Weiguo Zhang, P. Shiv Halasyamani, Holger Kleinke

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  33. Thermal Properties of the Quaternary Chalcogenide BaCdSnSe4

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    Wilarachchige D. C. B. Gunatilleke, Noha Alzahrani, Andrew F. May, Hsin Wang, George S. Nolas

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  34. EuHgGeSe 4 and EuHgSnS 4 : Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses

    Inorganic Chemistry · 2020-11-30

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  35. First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A 2 GeSe 4 (A = Mg; γ -Sr) surfaces for a promising visible light photocatalytic application

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  36. Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials

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  37. 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

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

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  38. Na 4 SnS 4 and Na 4 SnSe 4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors

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  39. Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba 4 GaS 4 F 3

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  40. Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K 2 HgSnSe 4 and three-dimensional Na 6 Cu 8 Sn 3 Se 13

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  41. SrZnSnSe4: Synthesis, crystal structure and nonlinear optical properties

    Journal of Solid State Chemistry · 2021-02-26

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  42. BaCdGeSe4: Synthesis, structure and nonlinear optical properties

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  43. Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap

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  44. Li4MgGe2S7: The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap

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  45. Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials

    Coordination Chemistry Reviews · 2021-08-26

    Hong Chen, Wenbo Wei, Hua Lin, Xintao Wu

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  46. Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)

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    Hongbo Gao, Kewang Zhang, Ailijiang Abudurusuli, Chen Bai, Zhihua Yang, Kangrong Lai, Junjie Li, Shilie Pan

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  47. Structural modification from centrosymmetric Rb 4 Hg 2 Ge 2 S 8 to noncentrosymmetric (Na 3 Rb)Hg 2 Ge 2 S 8 : mixed alkali metals strategy for infrared nonlinear optical material design

    Journal of Materials Chemistry C · 2021-12-15

    Chunlan Tang, Wenhao Xing, Fei Liang, Mengran Sun, Jian Tang, Zheshuai Lin, Jiyong Yao, Kaixin Chen, Jieyun Wu, Wenlong Yin, Bin Kang

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  48. Five coordinated Mn in Ba 4 Mn 2 Si 2 Te 9 : synthesis, crystal structure, physical properties, and electronic structure

    Dalton Transactions · 2022-01-01

    Sweta Yadav, Subhendu Jana, Gopabandhu Panigrahi, Sairam K. Malladi, Manish K. Niranjan, Jai Prakash

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  49. Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties

    Chemical Science · 2022-01-01

    Hedi Yang, Mao‐Yin Ran, Shenghua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  50. Strong Photoelectric Properties of Mn-Based Seleniumstannates with Alkali Metals as Structure-Directing Agents

    European Journal of Inorganic Chemistry · 2022-01-01

    Gele Teri, Xin Liu, Na Li, Muge Shele, E. Namila, Liming Qi, Sagala Bai, Menghe Baiyin

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