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RESEARCH PAPER · Angewandte Chemie International Edition · 2024

Cs 3 In(In 4 Se 7 )(P 2 Se 6 ): A Multi‐Chromophore Chalcogenide with Excellent Nonlinear Optical Property Designed by Group Grafting

Zhen Qian, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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Cs 3 In(In 4 Se 7 )(P 2 Se 6 ): A Multi‐Chromophore Chalcogenide with Excellent Nonlinear Optical Property Designed by Group GraftingOriginalBa 2 GeF 2 Q 3 (Q = S, Se) and Ba 3 GeF 2 Se 4 : new F-based chalcohalides with enhanced birefringence9Chemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement16Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates13Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types2La3Ga5M0.5Sn0.5O14, (M = Ge, Si): Design and Synthesis of Two Langasite Nonlinear Optical Materials with Large Second Harmonic Generation and Birefringence Induced by Distorted (Sn/M)O6 Octahedra4Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response7Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Tin chalcohalide Sn 11 (PS 4 ) 4 I 10 obtained from structural-template-oriented synthesis: exhibiting balanced infrared nonlinear optical performance6Evaluation of microscopic origins of optical responses: based on rigorous atomic space tessellating6Rare‐Earth Substitution Induced Symmetry Breaking for The First Sc‐Based Nonlinear Optical Chalcogenide with High‐Performance30BaSbBS 4 : a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy28Designing 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 strategy4NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework0Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio14AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties16First-Principles High-Throughput Screening and Experimental Verification of III-VIB Transition Metal Chalcogenides Nonlinear Optical Crystals15Two-in-one: assembling hybrid supertetrahedra chromophores and achieving high-performance “hexagonal warriors” in nonlinear optical crystals6A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design40A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design3La 3 ZrGa 5 O 14 : Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap18La3ZrGa5O14: Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap1Synergically Assembling Advantageous Groups toward High‐Performance Infrared Nonlinear Optical Materials A II CdSiSe 4 (A II = Sr, Ba)40SrZnGeSe 4 : a promising infrared nonlinear optical material with strong second harmonic generation and high laser-induced damage threshold4Giant Birefringence Enabled by the Highly Anisotropic Linear IX 2 − (X = Cl, Br) Building Blocks6Giant Birefringence Enabled by the Highly Anisotropic Linear IX 2 − (X = Cl, Br) Building Blocks32Cd 7 I 12 Q·As 4 Q n (Q = S, Se; n = 3, 4): In Situ Alteration of Functional Molecules in Polar Metal Inorganic Framework Tailoring High‐Performance Infrared Nonlinear Optical Crystals9Eu(II) 4 Eu(III) 2 Ge 3 S 11 O 2 : a Single‐Element Mixed‐Valence Engineering Breakthrough for Strongly Enhanced Nonlinearity and Anisotropy in Rare‐Earth Oxysulfides8Alkali Metal Substitution-Induced Structural Transformation for RbREP2Se6 (RE = Gd, Tb, Dy) with Second-Harmonic Generation Responses6Five-Membered [C 5 O 5 ] 2 – Rings as Birefringence-Active Genes for Ultrabirefringent Crystals27LiPb 3 GeS 4 Cl 3 : Quasi‐T 2 ‐Supertetrahedral 3D Framework Enabling Superior Optical Performance14LiPb 3 GeS 4 Cl 3 : Quasi‐T 2 ‐Supertetrahedral 3D Framework Enabling Superior Optical Performance3BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6Structural, spectral, dielectric, and nonlinear optical properties of 2,4,6-Trinitrophenol with optical limiting behavior3Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps5A high-performance IR nonlinear optical material Sr 3 MnGe 2 S 8 achieved via partial cation substitution-induced structural transformation2Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances2ANb 2 (PS 4 )(S 2 ) 3 (A = K, Rb, Cs): the first Nb-based NLO thiophosphates with [NbS 2 (S 2 ) 3 ] and [Nb 2 PS 6 (S 2 ) 4 ] units exhibiting tri-state structural transformation and high performance6A series of langasite-type compounds: size effect regulation for cation occupation and enhanced SHG response1Centrosymmetric to noncentrosymmetric structure transition of the RbREP 2 Se 6 (RE = La–Nd, Sm, Ho–Yb) series: crystal growth, magnetic and optical properties4LiPb3GeS4Br3：含孤对电子功能化超四面体的红外非线性光学晶体（特邀）0Realizing Phase‐Matching of Nonlinear Optical [ABa 3 Br 2 ][Ga 5 Se 10 ] (A = Cs, Rb, K, Na) Through Large Anisotropic Lattice Distortion11From Polycrystalline Synthesis to Single‐Crystal Growth: Achieving High‐Optical‐Quality BaGa 2 GeSe 6 crystal via a Dual‐Zone Approach1Reduced multiplicity of crystallographic sites for superior thermoelectric performance of cubic Cu 6 GeTeS 4 via chemical tailoring0An Ultra-Wide Bandgap Sulfonate with Two-Step Second-Harmonic Generation Switching2High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification6The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 115The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 110Cd/V Ratio-Driven Centrosymmetric Transition of Crystal Structures in Cesium Cadmium Vanadate Oxychlorides Cs 3 CdV 4 O 12 Cl and CsCdV 2 O 6 Cl0Defect Diamond‐Like d 10 Metal Indium Selenium With Strong Second‐Harmonic Generation and Enhanced Laser‐Induced Damage Threshold2Achieving High‐Birefringence Thiophosphates From Low Polarizability Anisotropy Units by an Axial Linear Matching Strategy1Nonlinear Optical-Active NaAlP 2 S 6 Synthesized by the MOBQ Method: Synthesis, Structure, and Optical Properties0Mid‐ to Far‐Infrared Nonlinear Optical Crystals: Design Strategies, Structure–Property Relationships and Engineering Prospects0Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance3Synthesis, structure, optical properties, and magnetic behavior of layered heavy rare-earth thiogermanates CsDyGeS4 and CsErGeS40

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  1. Ba 2 GeF 2 Q 3 (Q = S, Se) and Ba 3 GeF 2 Se 4 : new F-based chalcohalides with enhanced birefringence

    Chemical Communications · 2024-01-01

    Kaixuan Li, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  2. Chemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement

    Inorganic Chemistry Frontiers · 2024-01-01

    Hongshan Wang, Xueting Pan, Shilie Pan, Junjie Li

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  3. Reconstructing nearly isotropic microstructures to construct a one-dimensional framework causing record birefringence in thiophosphates

    Chemical Science · 2024-01-01

    Lin‐Tao Jiang, Xiao‐Ming Jiang, Yuhang Fan, Bin‐Wen Liu, Guo‐Cong Guo

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  4. Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types

    RSC Advances · 2024-01-01

    Chaoyi Zhu

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  5. La3Ga5M0.5Sn0.5O14, (M = Ge, Si): Design and Synthesis of Two Langasite Nonlinear Optical Materials with Large Second Harmonic Generation and Birefringence Induced by Distorted (Sn/M)O6 Octahedra

    Inorganic Chemistry · 2024-07-25

    Jingxuan Hou, Jiajia Wang, Fei Liang, Shihui Ma, Hongwei Yu, Hongping Wu, Ning Ye, Zhanggui Hu, Yicheng Wu

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  6. Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response

    Inorganic Chemistry · 2024-08-21

    Ming Yang, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  7. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

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  8. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

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  9. Tin chalcohalide Sn 11 (PS 4 ) 4 I 10 obtained from structural-template-oriented synthesis: exhibiting balanced infrared nonlinear optical performance

    Inorganic Chemistry Frontiers · 2024-12-19

    Cuier Deng, Xi Qing Xu, Yuhan Hu, Jingyu Guo, Li‐Ming Wu, Ling Chen

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  10. Evaluation of microscopic origins of optical responses: based on rigorous atomic space tessellating

    Journal of Materials Chemistry C · 2024-12-20

    Yang Chi

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  11. Rare‐Earth Substitution Induced Symmetry Breaking for The First Sc‐Based Nonlinear Optical Chalcogenide with High‐Performance

    Advanced Science · 2024-12-30

    Chen‐Yi Zhao, Chun‐Li Hu, Nian‐Tzu Suen, Xiaohui Li, Haiping Xu, Wenfeng Zhou, Sheng‐Ping Guo

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  12. BaSbBS 4 : a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy

    Chemical Science · 2025-01-01

    Ming‐Zhi Zhang, Yue Zhao, Chun‐Li Hu, Jiang‐Gao Mao

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  13. Designing 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 strategy

    Materials Chemistry Frontiers · 2025-01-01

    Zhen Qian, Deman Kong, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  14. NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework

    Dalton Transactions · 2025-01-01

    Jiale Chen, Haipeng Zhou, Huimin Sha, Jinfeng Liu, Xiu Zhu, Guisheng Xu, Jiankang Wang

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  15. Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio

    Advanced Functional Materials · 2025-01-17

    Shaoxin Cui, Shuoxing Yang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  16. AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties

    Science China Materials · 2025-01-22

    Mengmeng Chen, Xu Liu, Abudukadi Tudi, Cui Chen, Qixian Ren, Zhihua Yang, Yabo Wu, Shilie Pan

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  17. First-Principles High-Throughput Screening and Experimental Verification of III-VIB Transition Metal Chalcogenides Nonlinear Optical Crystals

    Chemistry of Materials · 2025-01-23

    Miao Song, Hongbo Huang, Baoli Gao, Yumiao Niu, Ying Wang, Daqing Yang, Bingbing Zhang

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  18. Two-in-one: assembling hybrid supertetrahedra chromophores and achieving high-performance “hexagonal warriors” in nonlinear optical crystals

    Science China Chemistry · 2025-02-20

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  19. A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design

    Angewandte Chemie International Edition · 2025-03-11

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  20. A Promising Deep Ultraviolet Nonlinear Optical Crystal Activated by the Ordered Structure Design

    Angewandte Chemie · 2025-03-11

    Haonan Liu, Xuming Zhai, Xinru Li, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  21. La 3 ZrGa 5 O 14 : Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap

    Angewandte Chemie International Edition · 2025-03-11

    Dazhi Lu, Yuzhou Wang, Xiaoheng Li, Fei Liang, Kui Wu, Haohai Yu, Huaijin Zhang

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  22. La3ZrGa5O14: Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap

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  23. Synergically Assembling Advantageous Groups toward High‐Performance Infrared Nonlinear Optical Materials A II CdSiSe 4 (A II = Sr, Ba)

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    Hongshan Wang, Ran An, Zhihua Yang, Shilie Pan, Junjie Li

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  24. SrZnGeSe 4 : a promising infrared nonlinear optical material with strong second harmonic generation and high laser-induced damage threshold

    Optics Express · 2025-03-27

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  25. Giant Birefringence Enabled by the Highly Anisotropic Linear IX 2 − (X = Cl, Br) Building Blocks

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  26. Giant Birefringence Enabled by the Highly Anisotropic Linear IX 2 − (X = Cl, Br) Building Blocks

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  27. Cd 7 I 12 Q·As 4 Q n (Q = S, Se; n = 3, 4): In Situ Alteration of Functional Molecules in Polar Metal Inorganic Framework Tailoring High‐Performance Infrared Nonlinear Optical Crystals

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  28. Eu(II) 4 Eu(III) 2 Ge 3 S 11 O 2 : a Single‐Element Mixed‐Valence Engineering Breakthrough for Strongly Enhanced Nonlinearity and Anisotropy in Rare‐Earth Oxysulfides

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  29. Alkali Metal Substitution-Induced Structural Transformation for RbREP2Se6 (RE = Gd, Tb, Dy) with Second-Harmonic Generation Responses

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    Zongze Li, Zi-Nan Chen, Ning Wang, Mao‐Yin Ran, Wenlong Liu, Sheng‐Ping Guo

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  30. Five-Membered [C 5 O 5 ] 2 – Rings as Birefringence-Active Genes for Ultrabirefringent Crystals

    Journal of the American Chemical Society · 2025-09-16

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  31. LiPb 3 GeS 4 Cl 3 : Quasi‐T 2 ‐Supertetrahedral 3D Framework Enabling Superior Optical Performance

    Angewandte Chemie International Edition · 2025-10-13

    Yuhan Hu, Ruixi Wang, Shuang Zhao, Yuzhuo Yang, Jingyu Guo, Li‐Ming Wu, Ling Chen

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  32. LiPb 3 GeS 4 Cl 3 : Quasi‐T 2 ‐Supertetrahedral 3D Framework Enabling Superior Optical Performance

    Angewandte Chemie · 2025-10-13

    Yuhan Hu, Ruixi Wang, Shuang Zhao, Yuzhuo Yang, Jingyu Guo, Li‐Ming Wu, Ling Chen

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  33. BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach

    Materials Today Chemistry · 2025-10-25

    Puxuan Wang, Deman Kong, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  34. Structural, spectral, dielectric, and nonlinear optical properties of 2,4,6-Trinitrophenol with optical limiting behavior

    Materials Science and Engineering B · 2025-10-28

    A. Alexandar, B. Sahaya Infant Lasalle, B. Kanickairaj, S. Lekshmi, Merin George, Bessy Mary Philip, Roshan Jose, Muthu Senthil Pandian, T.C. Sabari Girisun, Davidson Sajan

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  35. Reactive flux assisted metal oxide–boron–sulfur routine for syntheses of CsRESiS 4 (RE = Sm, Gd–Ho): featuring nonlinear optical activity and wide band gaps

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  36. A high-performance IR nonlinear optical material Sr 3 MnGe 2 S 8 achieved via partial cation substitution-induced structural transformation

    Inorganic Chemistry Frontiers · 2025-11-14

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  37. Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances

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  38. ANb 2 (PS 4 )(S 2 ) 3 (A = K, Rb, Cs): the first Nb-based NLO thiophosphates with [NbS 2 (S 2 ) 3 ] and [Nb 2 PS 6 (S 2 ) 4 ] units exhibiting tri-state structural transformation and high performance

    Inorganic Chemistry Frontiers · 2025-12-09

    Zong-Ze Li, Yang Chi, Yu-Xuan Zhang, Ao Guo, Hui-Zhi Gao, Zheng-Ren Chen, Mao-Yin Ran, Wenlong Liu, Sheng-Ping Guo

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  39. A series of langasite-type compounds: size effect regulation for cation occupation and enhanced SHG response

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  40. Centrosymmetric to noncentrosymmetric structure transition of the RbREP 2 Se 6 (RE = La–Nd, Sm, Ho–Yb) series: crystal growth, magnetic and optical properties

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  41. LiPb3GeS4Br3：含孤对电子功能化超四面体的红外非线性光学晶体（特邀）

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  42. Realizing Phase‐Matching of Nonlinear Optical [ABa 3 Br 2 ][Ga 5 Se 10 ] (A = Cs, Rb, K, Na) Through Large Anisotropic Lattice Distortion

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  43. From Polycrystalline Synthesis to Single‐Crystal Growth: Achieving High‐Optical‐Quality BaGa 2 GeSe 6 crystal via a Dual‐Zone Approach

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  44. Reduced multiplicity of crystallographic sites for superior thermoelectric performance of cubic Cu 6 GeTeS 4 via chemical tailoring

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  45. An Ultra-Wide Bandgap Sulfonate with Two-Step Second-Harmonic Generation Switching

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  46. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

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  47. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

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  48. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

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  49. Cd/V Ratio-Driven Centrosymmetric Transition of Crystal Structures in Cesium Cadmium Vanadate Oxychlorides Cs 3 CdV 4 O 12 Cl and CsCdV 2 O 6 Cl

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  50. Defect Diamond‐Like d 10 Metal Indium Selenium With Strong Second‐Harmonic Generation and Enhanced Laser‐Induced Damage Threshold

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