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RESEARCH PAPER · Chemistry of Materials · 2019

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

Zhuang Li, Yi Jin Yang, Yangwu Guo, Wenhao Xing, Xiaoyu Luo, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar GroupsOriginalAg 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13Ba 4 (BS 3 S) 2 S 4 : a new thioborate with unprecedented [BS 3 -S] and [S 4 ] fundamental building blocks19From CuFeS 2 to Ba 6 Cu 2 FeGe 4 S 16 : rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold22Hybridization-activated new deep ultraviolet transparent nonlinear optical material Ba 11 [Al(PO 4 ) 4 ](P 2 O 7 )(PO 4 ) 3 with balanced overall performance and parsimony-forbidden structure23Monoclinic gallium selenide: an AgGaS 2 -type structure variant with balanced infrared nonlinear optical performance43Partial substitution induced centrosymmetric to noncentrosymmetric structure transformation and promising second-order nonlinear optical properties of (K 0.38 Ba 0.81 )Ga 2 Se 495[Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study18BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4265Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer9Li[LiCs2Cl][Ga3S6]: A Nanoporous Framework of GaS4 Tetrahedra with Excellent Nonlinear Optical Performance172Li[LiCs2Cl][Ga3S6]: A Nanoporous Framework of GaS4 Tetrahedra with Excellent Nonlinear Optical Performance40An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study17Alkali-earth metal lead( ii ) oxyhalide Ba 27 Pb 8 O 8 Cl 54 exhibiting interesting [Pb 4 Ba 4 O 4 ] 8+ species8Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Mixed-metal thiophosphate CuCd 3 PS 6 : an infrared nonlinear optical material activated by its three-in-one tetrahedra-stacking architecture33Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement96Volume Modulation of Nonlinear Optical Properties by Cation Substitution8Crystal chemistry, second-order nonlinear optical, and magnetic properties of Eu8Sn4Se2014Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability16Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides113Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation34Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75EuHgGeSe 4 and EuHgSnS 4 : Two Quaternary Eu-Based Infrared Nonlinear Optical Materials with Strong Second-Harmonic-Generation Responses55Investigation of the second-order nonlinear optical property of Sr6Sb6S173Recent Achievements in Lone-Pair Cation-Based Infrared Second-Order Nonlinear Optical Materials95Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides20Distinctive modulation of optical anisotropy by halogens in α/β-Cd–P–X (X = Cl, Br, and I)2New nonlinear optical-active AAgGa 6 S 10 (A = K, Rb, Cs) featuring {[AgGa 6 S 10 ] − } ∞ framework and high laser damage threshold42Lithiated Graphene Quantum Dot and its Nonlinear Optical Properties Modulated by a Single Alkali Atom: A Theoretical Perspective22A DFT study on M3O (M = Li & Na) doped triphenylene and its amino-, hydroxy- and thiol-functionalized quantum dots for triggering remarkable nonlinear optical properties and ultra-deep transparency in ultraviolet region14Highly 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 846Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Helical {[HgS]} n Chain-Induced Balanced Nonlinear-Optical Performance for Trigonal Mercury Sulfide29From CeF2(SO4)·H2O to Ce(IO3)2(SO4): Defluorinated Homovalent Substitution for Strong Second-Harmonic-Generation Effect and Sufficient Birefringence53Cd7SiAs6, a Nonchalcopyrite Arsenide with a Strong Nonlinear-Optical Response9Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials128Ba 6 In 2 Ge 2 Te 15 : a THz birefringent material with an intriguing quasi-[Te 5 ] 4− chain possessing large optical anisotropy and an ultrawide transmission range7Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr 3 Ge 2 O 4 Te 318KAg3Ga8S14: An Mid- and Far-infrared Nonlinear Optical Material Exhibiting High Laser-induced Damage Threshold※3AgGaSe2-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 Response27Achieving Large Second Harmonic Generation Effects via Optimal Planar Alignment of Triangular Units64Rational design of an organic–inorganic hybrid with Schiff base cations for an efficient quadratic nonlinear optical switch15Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials90Effect of strain on the band structure and optical properties of Na2Bi2(SeO3)3F21The first quaternary rare-earth oxythiogermanate with second-harmonic generation and ferromagnetic behavior26The Kurtz–Perry Powder Technique Revisited: A Study of the Effect of Reference Selection on Powder Second-Harmonic Generation Response20Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials53Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials5Wide band gaps in nonlinear optical materials AMgAgGa6S11 (A = K, Rb) achieved by the incorporation of dual s-block elements in Ag-based sulfide11A 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 Gaps27A I B 3 II C 2 III Q 6 VI X VII : A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS 3 ] and Polycations25Regulating the key performance parameters for Hg-based IR NLO chalcogenides via bandgap engineering strategy26ACu4AsS4 (A = K, Rb): Two infrared nonlinear optical crystals with strong second-harmonic generation responses originating from multiple chromophores12“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution28Ag 2 GeS 3 : A Diamond‐Like Chalcogenide as an IR Nonlinear Optical Material with Outstanding Second‐Harmonic Generation Response28Achieving Phase‐Matching in Nonlinear Optical Materials CsM 2 In 2 S 6 (M = Cd/In, Hg/In) by the Incorporation of Unprecedented Trigonal Planar MS 3 Motifs6Hg4InS2Cl5: Achieving Giant Optical Anisotropy by Introducing Well‐Aligned Linear [Hg2S2] Units14Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS 3 ] 2− functional units18A Polar Cerium Iodate Ce 2 (IO 3 ) 6 (H 2 O) with a Strong Second-Harmonic Generation Response in Trivalent Ce-Based Materials1Entropy‐Driven Structural Modulation Enables High‐Efficiency Nonlinear Optical Performance in Defective Wurtzite Selenides2First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals0NaGa2PS6: A Noncentrosymmetric Thiophosphate with Wide Band Gap and High Laser-Induced Damage Threshold0

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  1. Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response

    Journal of Materials Chemistry C · 2019-01-01

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  2. Ba 4 (BS 3 S) 2 S 4 : a new thioborate with unprecedented [BS 3 -S] and [S 4 ] fundamental building blocks

    Chemical Communications · 2019-01-01

    Guangmao Li, Junjie Li, Kui Wu, Zhihua Yang, Shilie Pan

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  3. From CuFeS 2 to Ba 6 Cu 2 FeGe 4 S 16 : rational band gap engineering achieves large second-harmonic-generation together with high laser damage threshold

    Chemical Communications · 2019-01-01

    Wangzhu Cao, Dajiang Mei, Yi Jin Yang, Yuanwang Wu, Ling‐Yun Zhang, Yuandong Wu, Xiao Dong He, Zheshuai Lin, Fuqiang Huang

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  4. Hybridization-activated new deep ultraviolet transparent nonlinear optical material Ba 11 [Al(PO 4 ) 4 ](P 2 O 7 )(PO 4 ) 3 with balanced overall performance and parsimony-forbidden structure

    Journal of Materials Chemistry C · 2019-01-01

    Zhi Gang Fang, Bing‐Ping Yang, Chun‐Li Hu, Jiang‐Gao Mao

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  5. Monoclinic gallium selenide: an AgGaS 2 -type structure variant with balanced infrared nonlinear optical performance

    Journal of Materials Chemistry C · 2019-01-01

    Qian-Ting Xu, Zongdong Sun, Yang Chi, Huaiguo Xue, Sheng‐Ping Guo

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  6. Partial substitution induced centrosymmetric to noncentrosymmetric structure transformation and promising second-order nonlinear optical properties of (K 0.38 Ba 0.81 )Ga 2 Se 4

    Chemical Communications · 2019-01-01

    Yanan Li, Yang Chi, Zongdong Sun, Huaiguo Xue, Nian‐Tzu Suen, Sheng‐Ping Guo

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  7. [Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study

    Chemistry - A European Journal · 2019-03-06

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

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

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  9. Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4

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  10. Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer

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  11. Li[LiCs2Cl][Ga3S6]: A Nanoporous Framework of GaS4 Tetrahedra with Excellent Nonlinear Optical Performance

    Angewandte Chemie International Edition · 2019-10-26

    Bin‐Wen Liu, Xiao‐Ming Jiang, Bingxuan Li, Hui‐Yi Zeng, Guo‐Cong Guo

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  12. Li[LiCs2Cl][Ga3S6]: A Nanoporous Framework of GaS4 Tetrahedra with Excellent Nonlinear Optical Performance

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  13. An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study

    Chemical Communications · 2019-12-04

    Pifu Gong, Shengzi Zhang, Gaomin Song, Xiaomeng Liu, Zheshuai Lin

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  14. Alkali-earth metal lead( ii ) oxyhalide Ba 27 Pb 8 O 8 Cl 54 exhibiting interesting [Pb 4 Ba 4 O 4 ] 8+ species

    New Journal of Chemistry · 2019-12-26

    Zhuang Li, Xingxing Jiang, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  15. Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook

    Inorganic Chemistry Frontiers · 2020-01-01

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

    Chemistry of Materials · 2020-03-05

    Zhuang Li, Shengzi Zhang, Zhiwei Huang, Li‐Dong Zhao, Ece Uykur, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  18. Volume Modulation of Nonlinear Optical Properties by Cation Substitution

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  19. Crystal chemistry, second-order nonlinear optical, and magnetic properties of Eu8Sn4Se20

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

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  21. Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides

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  22. Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation

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  23. Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials

    Crystal Growth & Design · 2020-10-23

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

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  25. Investigation of the second-order nonlinear optical property of Sr6Sb6S17

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  26. Recent Achievements in Lone-Pair Cation-Based Infrared Second-Order Nonlinear Optical Materials

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  27. Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides

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  28. Distinctive modulation of optical anisotropy by halogens in α/β-Cd–P–X (X = Cl, Br, and I)

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  29. New nonlinear optical-active AAgGa 6 S 10 (A = K, Rb, Cs) featuring {[AgGa 6 S 10 ] − } ∞ framework and high laser damage threshold

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  30. Lithiated Graphene Quantum Dot and its Nonlinear Optical Properties Modulated by a Single Alkali Atom: A Theoretical Perspective

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  31. A DFT study on M3O (M = Li & Na) doped triphenylene and its amino-, hydroxy- and thiol-functionalized quantum dots for triggering remarkable nonlinear optical properties and ultra-deep transparency in ultraviolet region

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

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

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  35. From CeF2(SO4)·H2O to Ce(IO3)2(SO4): Defluorinated Homovalent Substitution for Strong Second-Harmonic-Generation Effect and Sufficient Birefringence

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  36. Cd7SiAs6, a Nonchalcopyrite Arsenide with a Strong Nonlinear-Optical Response

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

    Coordination Chemistry Reviews · 2021-12-09

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  38. Ba 6 In 2 Ge 2 Te 15 : a THz birefringent material with an intriguing quasi-[Te 5 ] 4− chain possessing large optical anisotropy and an ultrawide transmission range

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  39. Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr 3 Ge 2 O 4 Te 3

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  40. KAg3Ga8S14: An Mid- and Far-infrared Nonlinear Optical Material Exhibiting High Laser-induced Damage Threshold※

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

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  42. 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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  43. Achieving Large Second Harmonic Generation Effects via Optimal Planar Alignment of Triangular Units

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  44. Rational design of an organic–inorganic hybrid with Schiff base cations for an efficient quadratic nonlinear optical switch

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  45. Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials

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  46. Effect of strain on the band structure and optical properties of Na2Bi2(SeO3)3F2

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  47. The first quaternary rare-earth oxythiogermanate with second-harmonic generation and ferromagnetic behavior

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  48. The Kurtz–Perry Powder Technique Revisited: A Study of the Effect of Reference Selection on Powder Second-Harmonic Generation Response

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  49. Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials

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  50. Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials

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