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RESEARCH PAPER · Chemistry of Materials · 2022

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

Lihua Gao, Jingjing Xu, Xinyu Tian, Bingbing Zhang, Xiaowen Wu, Kui Wu

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AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and MercuryOriginalFirst polar quaternary sulphide CsLiGa 6 S 10 with mixed ordered alkali cations displaying excellent infrared nonlinear optical properties16Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid32The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps68Oxychalcogenides: A Promising Class of Materials for Nonlinear Optical Crystals with Mixed‐Anion Groups35d6versus d10, Which Is Better for Second Harmonic Generation Susceptibility? A Case Study of K2TGe3Ch8 (T = Fe, Cd; Ch = S, Se)18Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a “pore reconstruction” strategy in a salt-inclusion chalcogenide26Luminescent AgGaSe 2 /ZnSe nanocrystals: rapid synthesis, color tunability, aqueous phase transfer, and bio-labeling application6Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results24Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS324Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit38Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit1BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Synthesis, crystal structure and optical properties of the first Hg-based polyselenide Ba2HgSe51“Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect80Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence10Hydrazine-Assisted Synthesis, Structures, Photoelectricity, and Photocatalysis of Ternary Mercury–Tellurostannate Hybrids with Transition-Metal Complexes4Design of Pentanary Mixed-Chalcogenides Ag2In2SiS6–xSex (x = 1, 2) Based on the Bucket Effect: Local Structural Difference and High-Performance Nonlinear-Optical Properties Realized by Partial Congener Substitution5Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy31K2HgGe3Se8: A Quaternary Hg-Based Selenide with Nonlinear Optical Properties6Na 2 B 12 Si 6 Se 18 : a novel B 12 -cluster-containing quaternary selenoborate framework material2Hg4InS2Cl5: Achieving Giant Optical Anisotropy by Introducing Well‐Aligned Linear [Hg2S2] Units14AgGaS2 and Derivatives: Design, Synthesis, and Optical Properties8Cd5As2Br4: A Ternary Arsenide with Nonlinear Optical Property3Structural Evolution and Optical Tunability of Diamond-Like Semiconductors Li 2 Zn 1– x Cd x SnS 4 , Li 2 CdSn(S 1– y Se y ) 4 , and Li 2 ZnSn(S 1– y Se y ) 44Flux-Assisted Boron Chalcogen Mixture (BCM) Method for Synthesizing Mixed Chalcogenide Semiconductors (AkRE 2 Si 2 Se x S 8– x and CaRE 2 Si 2 Se 8 ) ( Ak = Ca and Sr; RE = La, Ce, Pr, Nd, and Sm): Investigation of Their Magnetic and Optical Properties0[Rb 4 Cl][Cd 11 In 9 Se 26 ]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics0基于超表面调控的SnP2S6非线性光学特性增强研究0Selenium-Based Molecular Cage Crystal β-P 4 Se 3 Br 2 : A Promising Candidate for Infrared Nonlinear Optical Applications1Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals13CdY 2 Si 2 S 8 : A Wide Bandgap IR NLO Material with d 10 Metal-Induced Structure Transformation from CS to NCS1First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80Laporte Selection Rule Induced the Suppression of d ‐ d Transitions and Vacancies Enhanced the Second Harmonic Generation in I 4¯‐MnGa 2 S 40Variation of Tetrahedrons and Cations Regulates LIDTs in 3D‐DL Structure MIR‐NLO Crystals0

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  1. First polar quaternary sulphide CsLiGa 6 S 10 with mixed ordered alkali cations displaying excellent infrared nonlinear optical properties

    Inorganic Chemistry Frontiers · 2022-01-01

    Zi Wang, Bin‐Wen Liu, Guo‐Cong Guo

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  2. Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid

    Canadian Journal of Chemistry · 2022-08-30

    Bassey E. Inah, Hitler Louis, Innocent Benjamin, Tomsmith O. Unimuke, Adedapo Sunday Adeyinka

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  3. The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps

    Advanced Science · 2022-12-05

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

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  4. Oxychalcogenides: A Promising Class of Materials for Nonlinear Optical Crystals with Mixed‐Anion Groups

    Chemistry - A European Journal · 2022-12-16

    Yu-Jie Zhang, Hongping Wu, Zhanggui Hu, Hongwei Yu

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  5. d6versus d10, Which Is Better for Second Harmonic Generation Susceptibility? A Case Study of K2TGe3Ch8 (T = Fe, Cd; Ch = S, Se)

    Inorganic Chemistry · 2022-12-27

    Bingheng Ji, Fei Wang, Kui Wu, Bingbing Zhang, Jian Wang

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  6. Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a “pore reconstruction” strategy in a salt-inclusion chalcogenide

    Materials Horizons · 2023-01-01

    Shao‐Min Pei, Bin‐Wen Liu, Wen‐Fa Chen, Xiao‐Ming Jiang, Guo‐Cong Guo

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  7. Luminescent AgGaSe 2 /ZnSe nanocrystals: rapid synthesis, color tunability, aqueous phase transfer, and bio-labeling application

    Dalton Transactions · 2023-01-01

    Tong Li, Cong Liu, Ruyi Li, Xiaohua Huang, Xiaofei Qi, Xiaohan Mi, Tianyu Bai, Shanghua Xing

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  8. Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results

    Chemistry of Materials · 2023-01-24

    Wen‐Dong Yao, Xiyue Cheng, Sheng‐Ping Guo, Myung‐Hwan Whangbo, Bohan Ding, Shuiquan Deng

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  9. Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS3

    Advanced Optical Materials · 2023-05-05

    Yihan Yun, Mengfan Wu, Congwei Xie, Zhihua Yang, Guangmao Li, Shilie Pan

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  10. Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit

    Angewandte Chemie International Edition · 2023-06-29

    Wenlong Xie, Fuming Li, Jianbang Chen, Zhihuang Yang, Guangmao Li, Shilie Pan

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  11. Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit

    Angewandte Chemie · 2023-06-29

    Wenlong Xie, Fuming Li, Jianbang Chen, Zhihuang Yang, Guangmao Li, Shilie Pan

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  12. BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure

    Zeitschrift für anorganische und allgemeine Chemie · 2023-09-08

    Arka Sarkar, Gayatri Viswanathan, Kui Wu, Gordon J. Miller, Kirill A. Kovnir

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  13. Synthesis, crystal structure and optical properties of the first Hg-based polyselenide Ba2HgSe5

    Journal of Solid State Chemistry · 2023-12-02

    Jinlong Shi, Mengran Sun, Chunxiao Li, Jiyong Yao

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  14. “Three‐in‐One”: A New Hg‐Based Selenide Hg 7 P 2 Se 12 Exhibiting Wide Infrared Transparency Range and Strong Nonlinear Optical Effect

    Advanced Functional Materials · 2023-12-28

    Yu Chu, Hongshan Wang, Quan Chen, Xin Su, Zuxin Chen, Zhihua Yang, Junjie Li, Shilie Pan

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  15. Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence

    Chemical Science · 2024-01-01

    Shao‐Min Pei, Ming‐Shu Zhang, Fan Wu, Yan Guo, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  16. Hydrazine-Assisted Synthesis, Structures, Photoelectricity, and Photocatalysis of Ternary Mercury–Tellurostannate Hybrids with Transition-Metal Complexes

    Inorganic Chemistry · 2024-04-01

    Xiao Yang, Taohong Ren, Hongjin Zhu, Dingxian Jia

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  17. Design of Pentanary Mixed-Chalcogenides Ag2In2SiS6–xSex (x = 1, 2) Based on the Bucket Effect: Local Structural Difference and High-Performance Nonlinear-Optical Properties Realized by Partial Congener Substitution

    Inorganic Chemistry · 2024-04-16

    Mingyang Li, Jun Li, Wen‐Dong Yao, Nan Zhang, Haiping Xu, Wenfeng Zhou, Sheng‐Ping Guo

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  18. Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy

    Journal of the American Chemical Society · 2024-05-31

    Aoge Yao, Fan Liu, Bohui Xu, Hao Huo, Zheshuai Lin, Lei Kang

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  19. K2HgGe3Se8: A Quaternary Hg-Based Selenide with Nonlinear Optical Properties

    Inorganic Chemistry · 2024-08-26

    Guili Wang, Pifu Gong, Jiyong Yao

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  20. Na 2 B 12 Si 6 Se 18 : a novel B 12 -cluster-containing quaternary selenoborate framework material

    Dalton Transactions · 2024-12-09

    Gopabandhu Panigrahi, Hunter B. Tisdale, Gregory W. Morrison, Hans‐Conrad zur Loye

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  21. Hg4InS2Cl5: Achieving Giant Optical Anisotropy by Introducing Well‐Aligned Linear [Hg2S2] Units

    Advanced Optical Materials · 2024-12-13

    Qixian Ren, Yu Chu, Wenqi Jin, Mengmeng Chen, Cui Chen, Yabo Wu, Shilie Pan

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  22. AgGaS2 and Derivatives: Design, Synthesis, and Optical Properties

    Nanomaterials · 2025-01-20

    Guansheng Xing, Bing Chen

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  23. Cd5As2Br4: A Ternary Arsenide with Nonlinear Optical Property

    Crystal Growth & Design · 2025-02-12

    Qiang Liu, Wenhao Xing, Bohui Xu, Guili Wang, Chunxiao Li, Pifu Gong, Jiyong Yao

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  24. Structural Evolution and Optical Tunability of Diamond-Like Semiconductors Li 2 Zn 1– x Cd x SnS 4 , Li 2 CdSn(S 1– y Se y ) 4 , and Li 2 ZnSn(S 1– y Se y ) 4

    Chemistry of Materials · 2025-10-16

    Pritam Das, Diganta Sarkar, Vidyanshu Mishra, Mengran Sun, Dundappa Mumbaraddi, Mohammed Jomaa, Vladimir K. Michaelis, Jiyong Yao, A. Mar

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  25. Flux-Assisted Boron Chalcogen Mixture (BCM) Method for Synthesizing Mixed Chalcogenide Semiconductors (AkRE 2 Si 2 Se x S 8– x and CaRE 2 Si 2 Se 8 ) ( Ak = Ca and Sr; RE = La, Ce, Pr, Nd, and Sm): Investigation of Their Magnetic and Optical Properties

    Inorganic Chemistry · 2025-11-05

    Gopabandhu Panigrahi, Manish Kumar, Gregory W. Morrison, Christopher A. Sutton, Hans‐Conrad zur Loye

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  26. [Rb 4 Cl][Cd 11 In 9 Se 26 ]: a salt inclusion chalcogenide with a diamond-like framework for infrared nonlinear optics

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  27. 基于超表面调控的SnP2S6非线性光学特性增强研究

    Chinese Journal of Lasers · 2026-01-01

    戴腾飞, 常建华 Chang Jianhua, Congliao Yan, Yanghao Xu, 迟荣华 Chi Ronghua, 李红旭 Li Hongxu

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  28. Selenium-Based Molecular Cage Crystal β-P 4 Se 3 Br 2 : A Promising Candidate for Infrared Nonlinear Optical Applications

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  29. Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals

    Coordination Chemistry Reviews · 2026-02-02

    Ailijiang Abudurusuli, Linan Wang, Junben Huang, Xueling Hou, Miriding Mutailipu, Shilie Pan, Junjie Li

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  30. CdY 2 Si 2 S 8 : A Wide Bandgap IR NLO Material with d 10 Metal-Induced Structure Transformation from CS to NCS

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  31. First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 8

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  32. Laporte Selection Rule Induced the Suppression of d ‐ d Transitions and Vacancies Enhanced the Second Harmonic Generation in I 4¯‐MnGa 2 S 4

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  33. Variation of Tetrahedrons and Cations Regulates LIDTs in 3D‐DL Structure MIR‐NLO Crystals

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