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RESEARCH PAPER · Inorganic Chemistry · 2018

Nonbonding Electrons Driven Strong SHG Effect in Hg2GeSe4: Experimental and Theoretical Investigations

Yangwu Guo, Fei Liang, Jiyong Yao, Zheshuai Lin, Wenlong Yin, Yicheng Wu, Chuangtian Chen

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Nonbonding Electrons Driven Strong SHG Effect in Hg2GeSe4: Experimental and Theoretical InvestigationsOriginalTernary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework41A 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 progress on new infrared nonlinear optical materials with application prospect133Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups67Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag)9BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Li4HgSn2Se7: The First Second-Order Nonlinear Optical-Active Selenide in the I4–II–IV2–VI7 Diamond-like Family32First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture33Data-driven prediction of diamond-like infrared nonlinear optical crystals with targeting performances28Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement97HgCuPS4: An Exceptional Infrared Nonlinear Optical Material with Defect Diamond-like Structure146Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials131Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects78Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects19Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations17A New Nonlinear Optical Selenide Crystal AgLiGa 2 Se 4 with Good Comprehensive Performance in Mid‐Infrared Region44LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure180LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure10Hierarchical molecular design of high-performance infrared nonlinear Ag2HgI4 material by defect engineering strategy128Highly Distorted [HgS 4 ] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg 3 P 2 S 847Hg 3 P 2 S 8 : A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold111Long‐Term‐Stable Strong Second Harmonic Generation in Flexible DAST−PVDF Composite Films Realized by the Interface Interactions9Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Helical {[HgS]} n Chain-Induced Balanced Nonlinear-Optical Performance for Trigonal Mercury Sulfide29Investigation into Structural Variation from 3D to 1D and Strong Second Harmonic Generation of the AHgPS4 (A+ = Na+, K+, Rb+, Cs+) Family26Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials129Structural 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 design28Mid-Infrared Nonlinear Optical Halides with Diamond-like Structures: A Theoretical and Experimental Study44AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and Mercury34Ba 3 HgGa 2 S 7 : A Zero-Dimensional Quaternary Sulfide Featuring a Unique [Hg 2 Ga 4 S 14 ] 12– String and Exhibiting a High Photocurrent Response27Ba6Ge2Se12 and Ba7Ge2Se17: Two Centrosymmetric Barium Seleno-Germanates with Polyatomic Anion Disorder6AgIn 5 Se 8 : a defect diamond-like non-linear optical selenide22Crystal 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 conductivity3Open honeycomb frameworks of sulphides AHg 4 Ga 5 S 12 (A = Rb, Cs) exhibiting infrared nonlinear optical properties12Sr6Ge3OSe11: A Rationally Designed Noncentrosymmetric Oxyselenide with Polar [GeOSe3] Building Blocks16High-efficiency and selective removal of Hg(Ⅱ) and Pb(Ⅱ) ions from aquatic system by 1T/2H mixed-phase MoSe2 nanoflowers: Performance and mechanism19Defect diamond-like tellurides as infrared nonlinear optical materials with giant second-harmonic generation tensor14Zn 2 HgP 2 S 8 : A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response75ZnGa 2 S 4 : an infrared nonlinear optical material with large second‐harmonic generation response and wide band gap29Hg 3 AsS 4 X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances33Refined Synthesis and Single Crystal Growth of PbGa2Se4by Chemical Vapor Transport Method for Photodetection3Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides45Hg16O12(NO3)6F2(H2O): A Mercury-Rich Nitrate Oxyfluoride with Diverse Triple-Coordinated Mercury-Based Units That Exhibits an Unparalleled [(Hg16O12F2(H2O))6+]∞ Cationic Framework and a Large Birefringence12Vacancy‐Induced Extraordinary Second Harmonic Generation Response for Diamond‐Like Cu3PS49K2HgGe3Se8: A Quaternary Hg-Based Selenide with Nonlinear Optical Properties6Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds5新型非线性光学晶体和双折射晶体的研究进展（特邀）4AgGaS2 and Derivatives: Design, Synthesis, and Optical Properties10Nonbonding 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 Properties26Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation3Maximizing the second-harmonic generation response via coordination-induced localization of nonbonding electrons12Synthesis, crystal chemistry, and semiconducting properties of A 3 B 14 Se 24 (A = Sn/Pb; B = In/Sb/Bi) with step-layered NaCl(111)-type slabs interleaved with NaCl(100)-type ribbons0Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals15Synthesis, Structure, and Thermoelectric Properties of Quaternary Selenides M 2 In 5 Sb 9 Se 23 (M = Sn, Pb) with NaCl-Type Ribbon Motifs0Mid‐ to Far‐Infrared Nonlinear Optical Crystals: Design Strategies, Structure–Property Relationships and Engineering Prospects0First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80From AgGaSe2 to MIIGa2Se4 (MII = Zn, Cd): Heterovalent Substitution Creates Ordered Vacancies for Balanced IR-NLO Performance0Vacancy-Driven Tetrahedral Distortion in Defect Diamond-Like Selenides for Exceptional Second-Order Nonlinearity0

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

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  2. A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances

    Coordination Chemistry Reviews · 2018-09-20

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  3. BaB2S4: An Efficient and Air-Stable Thioborate as Infrared Nonlinear Optical Material with High Laser Damage Threshold

    Chemistry of Materials · 2018-10-16

    Hao Li, Guangmao Li, Kui Wu, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  4. Recent progress on new infrared nonlinear optical materials with application prospect

    Journal of Solid State Chemistry · 2018-12-20

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  5. Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups

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  6. Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag)

    Journal of Solid State Chemistry · 2019-01-29

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

    Chemistry of Materials · 2019-04-01

    Yangwu Guo, Fei Liang, Wenlong Yin, Zhuang Li, Xiaoyu Luo, Zheshuai Lin, Jiyong Yao, Arthur Mar, Yicheng Wu

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  8. Li4HgSn2Se7: The First Second-Order Nonlinear Optical-Active Selenide in the I4–II–IV2–VI7 Diamond-like Family

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  9. First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals

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  10. 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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  11. Data-driven prediction of diamond-like infrared nonlinear optical crystals with targeting performances

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  12. Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement

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  13. HgCuPS4: An Exceptional Infrared Nonlinear Optical Material with Defect Diamond-like Structure

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

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  15. Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects

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  16. Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects

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

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  18. A New Nonlinear Optical Selenide Crystal AgLiGa 2 Se 4 with Good Comprehensive Performance in Mid‐Infrared Region

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  19. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

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  20. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

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  21. Hierarchical molecular design of high-performance infrared nonlinear Ag2HgI4 material by defect engineering strategy

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  22. Highly Distorted [HgS 4 ] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg 3 P 2 S 8

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  23. Hg 3 P 2 S 8 : A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold

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  24. Long‐Term‐Stable Strong Second Harmonic Generation in Flexible DAST−PVDF Composite Films Realized by the Interface Interactions

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

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  26. Helical {[HgS]} n Chain-Induced Balanced Nonlinear-Optical Performance for Trigonal Mercury Sulfide

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  27. Investigation into Structural Variation from 3D to 1D and Strong Second Harmonic Generation of the AHgPS4 (A+ = Na+, K+, Rb+, Cs+) Family

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  28. Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials

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  29. 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

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  30. Mid-Infrared Nonlinear Optical Halides with Diamond-like Structures: A Theoretical and Experimental Study

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  31. AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and Mercury

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  32. Ba 3 HgGa 2 S 7 : A Zero-Dimensional Quaternary Sulfide Featuring a Unique [Hg 2 Ga 4 S 14 ] 12– String and Exhibiting a High Photocurrent Response

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  33. Ba6Ge2Se12 and Ba7Ge2Se17: Two Centrosymmetric Barium Seleno-Germanates with Polyatomic Anion Disorder

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  34. AgIn 5 Se 8 : a defect diamond-like non-linear optical selenide

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  35. Crystal 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 conductivity

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  36. Open honeycomb frameworks of sulphides AHg 4 Ga 5 S 12 (A = Rb, Cs) exhibiting infrared nonlinear optical properties

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  37. Sr6Ge3OSe11: A Rationally Designed Noncentrosymmetric Oxyselenide with Polar [GeOSe3] Building Blocks

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  39. Defect diamond-like tellurides as infrared nonlinear optical materials with giant second-harmonic generation tensor

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  40. Zn 2 HgP 2 S 8 : A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response

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  41. ZnGa 2 S 4 : an infrared nonlinear optical material with large second‐harmonic generation response and wide band gap

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  42. Hg 3 AsS 4 X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances

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  43. Refined Synthesis and Single Crystal Growth of PbGa2Se4by Chemical Vapor Transport Method for Photodetection

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  45. Hg16O12(NO3)6F2(H2O): A Mercury-Rich Nitrate Oxyfluoride with Diverse Triple-Coordinated Mercury-Based Units That Exhibits an Unparalleled [(Hg16O12F2(H2O))6+]∞ Cationic Framework and a Large Birefringence

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  48. Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds

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