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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2021

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

Wenhao Xing, Fei Liang, Chunlan Tang, Ece Uykur, Zheshuai Lin, Jiyong Yao, Wenlong Yin, Bin Kang

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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 8OriginalInvestigation into Structural Variation from 3D to 1D and Strong Second Harmonic Generation of the AHgPS4 (A+ = Na+, K+, Rb+, Cs+) Family26Highly polarized [GeOTe 3 ] motif-driven structural order promotion and an enhanced second harmonic generation response in the new nonlinear optical oxytelluride Ba 3 Ge 2 O 4 Te 334Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials129AAg 2 PS 4 (A = K, Na/K): the first-type of noncentrosymmetric alkali metal Ag-based thiophosphates exhibiting excellent second-order nonlinear optical performances21Ba 2 HgTe 5 : a Hg-based telluride with giant birefringence induced by linear [HgTe 2 ] units17Pb 3 SBrI 3 : the first Pb-based chalcohalide with multiple halogens features a unique two-dimensional structure composed of diverse Pb-centered polyhedra12Rational design of a promising oxychalcogenide infrared nonlinear optical crystal60A new salt-inclusion chalcogenide exhibiting distinctive [Cd11In9S26]3− host framework and decent nonlinear optical performances16HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response19Pd and octahedra do not get along: Square planar [PdS4] units in non-centrosymmetric La6PdSi2S1419Explorations of New SHG Materials in Mercury Iodate Sulfate System**9The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material105SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S412Hg2P2S6: A layered mercury hexathiodiphosphate (IV) with large birefringence11Ba 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 Response27Ag4SnGe2S7: A Noncentrosymmetric Chalcogenide in I4–II–IV2–VI7 System with Non-Diamond-Like Structure Featuring 1D ∞[SnGe2S8]6– Infinite Chain2Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials90Open honeycomb frameworks of sulphides AHg 4 Ga 5 S 12 (A = Rb, Cs) exhibiting infrared nonlinear optical properties12Quaternary alkaline-earth metal thiophosphate SrAgPS 4 : syntheses, structures, and optical properties9Recent progress on sulfide infrared nonlinear optical materials with large SHG response and wide band gap26The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd 4 P 2 ][CdBr 4 ]17Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results24HgB2S4: A d10 Metal Thioborate with Giant Birefringence and Wide Band Gap31[Ba4(S2)][ZnGa4S10]: Design of an Unprecedented Infrared Nonlinear Salt‐Inclusion Chalcogenide with Disulfide‐Bonds36Zn 2 HgP 2 S 8 : A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response75KHg4Ga3S9: A Hg-Based Sulfide with Nonlinear-Optical Activity in the A–MII–MIII–Q (A = Alkali Metal; MII = d10 Metal; MIII = Ga, In; Q = S, Se) System17AEAg7(PS4)3 (AE = Ba, Sr): The homovalent substitution of lead by alkaline earth metals achieves the separation of the two phases and enlarges the band gap1AgMAsS3 (M = Cd, Hg): Double d10 Cation-Containing Thioarsenites(III) Exhibiting High Photocurrent Response and Moderate Second Harmonic Generation11BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6The compatibly large nonlinear optical effect and high laser-induced damage threshold in a thiophosphate CsInP2S7 constructed with [P2S7]4- and [InS6]9-15ACu4AsS4 (A = K, Rb): Two infrared nonlinear optical crystals with strong second-harmonic generation responses originating from multiple chromophores12Hg 3 AsS 4 X (X = Cl and Br): two Hg-based chalcogenides as long-wave infrared nonlinear optical crystals with superior comprehensive performances33Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials6Second Harmonic Generation Control in 2D Layered Materials: Status and Outlook102The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution28Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Designing 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 strategy4新型非线性光学晶体和双折射晶体的研究进展（特邀）4Chalcophosphates: A plentiful source of infrared nonlinear optical materials42Diamond-like Ag x Cu 3− x PS 4 ( x = 1 and 2) synthesized by the metal oxide–boron–chalcogen (MOBQ) routine: local high-entropy engineering for balanced infrared nonlinear optical performance1Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals15Defect Diamond‐Like d 10 Metal Indium Selenium With Strong Second‐Harmonic Generation and Enhanced Laser‐Induced Damage Threshold3First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80AgEuPS4: Unlocking the Centrosymmetric Shackle of Rare-Earth Thiophosphates via Microscopic Distortion Cascading for Enhanced Second-Harmonic Generation Response1Heterometal-driven symmetry breaking in metal-oxo clusters for highly nonlinear optical application0Vacancy-Driven Tetrahedral Distortion in Defect Diamond-Like Selenides for Exceptional Second-Order Nonlinearity0

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

    Inorganic Chemistry · 2021-11-12

    Wenhao Xing, Chunlan Tang, Pifu Gong, Jieyun Wu, Zheshuai Lin, Jiyong Yao, Wenlong Yin, Bin Kang

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  2. Highly polarized [GeOTe 3 ] motif-driven structural order promotion and an enhanced second harmonic generation response in the new nonlinear optical oxytelluride Ba 3 Ge 2 O 4 Te 3

    Journal of Materials Chemistry C · 2021-11-18

    Mengran Sun, Xingyu Zhang, Chunxiao Li, Wenhao Liu, Zheshuai Lin, Jiyong Yao

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

    Coordination Chemistry Reviews · 2021-12-09

    Chunxiao Li, Xianghe Meng, Zhuang Li, Jiyong Yao

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  4. AAg 2 PS 4 (A = K, Na/K): the first-type of noncentrosymmetric alkali metal Ag-based thiophosphates exhibiting excellent second-order nonlinear optical performances

    Inorganic Chemistry Frontiers · 2022-01-01

    Wenfeng Zhou, Bingxuan Li, Wenlong Liu, Sheng‐Ping Guo

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  5. Ba 2 HgTe 5 : a Hg-based telluride with giant birefringence induced by linear [HgTe 2 ] units

    Inorganic Chemistry Frontiers · 2022-01-01

    Mengran Sun, Jiyong Yao

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  6. Pb 3 SBrI 3 : the first Pb-based chalcohalide with multiple halogens features a unique two-dimensional structure composed of diverse Pb-centered polyhedra

    Dalton Transactions · 2022-01-01

    Mei Yan, Ru‐Ling Tang, Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  7. Rational design of a promising oxychalcogenide infrared nonlinear optical crystal

    Chemical Science · 2022-01-01

    Yansong Cheng, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  8. A new salt-inclusion chalcogenide exhibiting distinctive [Cd11In9S26]3− host framework and decent nonlinear optical performances

    Journal of Alloys and Compounds · 2022-01-06

    Shao‐Min Pei, Lin‐Tao Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  9. HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response

    Journal of Alloys and Compounds · 2022-01-11

    Yinglei Han, Xin Lei Zhao, Feng Xu, Bingxuan Li, Ning Ye, Min Luo

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  10. Pd and octahedra do not get along: Square planar [PdS4] units in non-centrosymmetric La6PdSi2S14

    Journal of Alloys and Compounds · 2022-01-13

    Georgiy Akopov, Gayatri Viswanathan, Nethmi W. Hewage, Philip Yox, Kui Wu, Kirill A. Kovnir

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  11. Explorations of New SHG Materials in Mercury Iodate Sulfate System**

    Chemistry - A European Journal · 2022-02-14

    Yilin Li, Mengya Ji, Chun‐Li Hu, Jin Chen, Bingxuan Li, Yuan Hua Lin, Jiang‐Gao Mao

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  12. The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material

    Advanced Science · 2022-04-11

    Peng Wang, Yu Chu, Abudukadi Tudi, Congwei Xie, Zhihua Yang, Shilie Pan, Junjie Li

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  13. SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S4

    Inorganic Chemistry · 2022-06-07

    Jian Tang, Fei Liang, Chunlan Tang, Wenhao Xing, Jieyun Wu, Wenlong Yin, Bin Kang, Jianguo Deng

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  14. Hg2P2S6: A layered mercury hexathiodiphosphate (IV) with large birefringence

    Journal of Solid State Chemistry · 2022-07-18

    Li-Jia Yao, Chun‐Li Hu, Zhi Gang Fang, Jiang‐Gao Mao

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  15. 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

    Inorganic Chemistry · 2022-08-10

    Xiao Fen Huang, Sihan Yang, Wenlong Liu, Sheng‐Ping Guo

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  16. Ag4SnGe2S7: A Noncentrosymmetric Chalcogenide in I4–II–IV2–VI7 System with Non-Diamond-Like Structure Featuring 1D ∞[SnGe2S8]6– Infinite Chain

    Inorganic Chemistry · 2022-09-20

    Peng Wang, Maierhaba Abudoureheman, Kewang Zhang, Juanjuan Zheng, Zhaohui Chen, Qi Wu

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

    Coordination Chemistry Reviews · 2022-11-26

    Wenfeng Zhou, Jiajing Wu, Wenlong Liu, Sheng‐Ping Guo

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

    Dalton Transactions · 2023-01-01

    Xiao-Yu Lou, Yu Zhou, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  19. Quaternary alkaline-earth metal thiophosphate SrAgPS 4 : syntheses, structures, and optical properties

    Dalton Transactions · 2023-01-01

    Wenhao Xing, Jian Tang, Fei Liang, Chunlan Tang, Jieyun Wu, Wenlong Yin, Bin Kang, Jianguo Deng

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  20. Recent progress on sulfide infrared nonlinear optical materials with large SHG response and wide band gap

    Chinese Journal of Structural Chemistry · 2023-01-01

    Linan Wang, Qi Sun, Junjie Li

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  21. The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd 4 P 2 ][CdBr 4 ]

    Chemical Science · 2023-01-01

    Zhixin Qiu, Zhe-Xiong Zheng, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  22. 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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  23. HgB2S4: A d10 Metal Thioborate with Giant Birefringence and Wide Band Gap

    Chemistry of Materials · 2023-05-24

    Yi Huang, Yong an Zhang, Dongdong Chu, Zhihua Yang, Guangmao Li, Shilie Pan

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  24. [Ba4(S2)][ZnGa4S10]: Design of an Unprecedented Infrared Nonlinear Salt‐Inclusion Chalcogenide with Disulfide‐Bonds

    Small · 2023-06-04

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

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

    Small · 2023-07-20

    Yu Chu, Hongshan Wang, Tudi Abutukadi, Zhi Li, Miriding Mutailipu, Xin Su, Zhihua Yang, Junjie Li, Shilie Pan

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  26. KHg4Ga3S9: A Hg-Based Sulfide with Nonlinear-Optical Activity in the A–MII–MIII–Q (A = Alkali Metal; MII = d10 Metal; MIII = Ga, In; Q = S, Se) System

    Inorganic Chemistry · 2023-08-03

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  27. AEAg7(PS4)3 (AE = Ba, Sr): The homovalent substitution of lead by alkaline earth metals achieves the separation of the two phases and enlarges the band gap

    Journal of Solid State Chemistry · 2023-08-25

    Jian Tang, Wenhao Xing, Chunlan Tang, Jieyun Wu, Mingjun Xia, Wenlong Yin, Bin Kang, Jianguo Deng

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  28. AgMAsS3 (M = Cd, Hg): Double d10 Cation-Containing Thioarsenites(III) Exhibiting High Photocurrent Response and Moderate Second Harmonic Generation

    Inorganic Chemistry · 2023-08-30

    Jian Tang, Fei Liang, Wenhao Xing, Chunlan Tang, Wenlong Yin, Bin Kang, Jianguo Deng

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  29. 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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  30. The compatibly large nonlinear optical effect and high laser-induced damage threshold in a thiophosphate CsInP2S7 constructed with [P2S7]4- and [InS6]9-

    Chinese Chemical Letters · 2023-09-15

    Mengjia Luo, Xiaohui Li, Xingxing Jiang, Zheshuai Lin, Zhengyang Zhou

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  31. ACu4AsS4 (A = K, Rb): Two infrared nonlinear optical crystals with strong second-harmonic generation responses originating from multiple chromophores

    Scripta Materialia · 2023-12-20

    Xin Lei Zhao, Chensheng Lin, Chao Wang, Haotian Tian, Pengxiang Dong, Tao Yan, Bingxuan Li, Ning Ye, Min Luo

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

    Inorganic Chemistry Frontiers · 2024-01-01

    Feng Xu, Xiang Xu, Bingxuan Li, Ge Zhang, Chan Zheng, Jindong Chen, Ning Ye

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  33. Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials

    Inorganic Chemistry Frontiers · 2024-01-01

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  34. Second Harmonic Generation Control in 2D Layered Materials: Status and Outlook

    Advanced Functional Materials · 2024-01-04

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  35. The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution

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  36. Computer‐Aided Development of New Nonlinear Optical Materials

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  37. Computer‐Aided Development of New Nonlinear Optical Materials

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  38. 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

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  39. 新型非线性光学晶体和双折射晶体的研究进展（特邀）

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  40. Chalcophosphates: A plentiful source of infrared nonlinear optical materials

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  41. Diamond-like Ag x Cu 3− x PS 4 ( x = 1 and 2) synthesized by the metal oxide–boron–chalcogen (MOBQ) routine: local high-entropy engineering for balanced infrared nonlinear optical performance

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

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  45. AgEuPS4: Unlocking the Centrosymmetric Shackle of Rare-Earth Thiophosphates via Microscopic Distortion Cascading for Enhanced Second-Harmonic Generation Response

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