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RESEARCH PAPER · Chemical Communications · 2020

A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties

Guangmao Li, Zhihua Yang, Junjie Li, Shilie Pan

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A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical propertiesOriginalA novel promising infrared nonlinear optical selenide KAg 3 Ga 8 Se 14 designed from benchmark AgGaQ 2 (Q = S, Se)55Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials47Ba 2 BS 3 Cl and Ba 5 B 2 S 8 Cl 2 : first alkaline-earth metal thioborate halides with [BS 3 ] units21Design and synthesis of Ba 3 SiSe 5 with suitable birefringence modulated via M IV atoms in the Ba–M IV –Q (M IV = Si, Ge; Q = S, Se) system3RbPb 8 O 4 Cl 9 : the first alkali metal lead oxyhalide with distorted [PbO 3 Cl 3 ] and [PbOCl 5 ] mixed-anion groups6ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation39AZn4Ga5Se12 (A = K, Rb, or Cs): Infrared Nonlinear Optical Materials with Simultaneous Large Second Harmonic Generation Responses and High Laser-Induced Damage Thresholds34Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap213Li4MgGe2S7: The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap15Stepwise Li Substitution Induced Structure Evolution and Improved Nonlinear Optical Performance for Diamond-like Sulfides28Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Na+/Ag+ substitution induced birefringence enhancement from AgGaS2 to NaGaS218Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr 3 Ge 2 O 4 Te 318LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence16Na 4 Ga 8 S 14 : a Ga-enriched wide band gap ternary alkali-metal sulfide with unique [Ga 12 S 42 ] 12-membered rings2Wide band gap thiophosphates ASrPS 4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation13The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material104Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold14NaBaBS3: A Promising Infrared Functional Material with Large Birefringence Induced by π-Conjugated [BS3] Units32A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114Biosynthesis, characterization and nonlinear optical response of spherical flake-shaped copper oxide nanostructures6Ag4SnGe2S7: A Noncentrosymmetric Chalcogenide in I4–II–IV2–VI7 System with Non-Diamond-Like Structure Featuring 1D ∞[SnGe2S8]6– Infinite Chain2LiAlS2: A promising infrared frequency-conversion material with ultrawide band gap and high laser-induced damage threshold19AIB3IIC3IIIQ8VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units152Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials90Na 2 Ba[Na 2 Sn 2 S 7 ]: Structural Tolerance Factor‐Guided NLO Performance Improvement50Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement0A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response34Melilite oxychalcogenide Sr 2 FeGe 2 OS 6 : a phase-matching IR nonlinear optical material realized by isomorphous substitution30Revisiting two thiophosphate compounds constituting d 0 transition metal HfP 2 S 6 and d 10 transition metal α-Ag 4 P 2 S 6 as multifunctional materials for combining second harmonic generation response and photocurrent response12Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications19First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes14The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation6Structure and Optical Properties of LixAg1–xGaSe2 and LixAg1–xInSe27Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS324Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance56Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides11Three-in-One Tetrahedral Functional Units Constructing Diamondlike Ag2In2SiS3.06Se2.94 with High-Performance Nonlinear-Optical Activity4Evolution of Structures and Optical Properties in a Series of Infrared Nonlinear Optical Crystals LixAg1–xInSe2 (0 ≤ x ≤ 1)12Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation29A new nonlinear optical crystal Li0.81Ag0.19InSe2 with balanced properties for efficient nonlinear conversion in the mid-IR region10Enhancing second harmonic generation response in infrared nonlinear optical material through Pb substitution: A study of LiPbSiS compound2Ga-based IR nonlinear optical materials: Synthesis, structures, and properties65Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate70DFT investigation of M2F superalkali doped dodecafluorophenylene (C13H10F12) derivatives with remarkable static and dynamic NLO response5Selenoborates: a latent structure resource for infrared functional crystal materials1新型非线性光学晶体和双折射晶体的研究进展（特邀）4K4CuO2Cl2: A new alkali metal copper oxyhalide via aqueous solution processes0Synergically 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 threshold4AlGaSe3: Tuning Stability via Partial Cation Substitution and Achieving a Nonlinear Optical Property Leap6Structural 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 ) 44Hexamine metalides: Redefining nonlinear optics with record-breaking hyperpolarizability4ABCQ4型硫属化物红外非线性光学材料的构效关系（特邀）0高性能硫属化物红外非线性光学材料构效关系（特邀）0Charge-localized aza-12-crown based alkalides with exceptional nonlinear optical response2Electronic Structure and Elastic Properties of Polymorphic Phases of Lithium Oxothallate (LiTlO2)015-Crown-5-based metalides: computational insights into excess electrons and enhanced NLO response0

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  1. A novel promising infrared nonlinear optical selenide KAg 3 Ga 8 Se 14 designed from benchmark AgGaQ 2 (Q = S, Se)

    Chemical Communications · 2020-12-17

    Jia-Nuo Li, Wen‐Dong Yao, Xiaohui Li, Wenlong Liu, Huaiguo Xue, Sheng‐Ping Guo

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  2. Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials

    Journal of Materials Chemistry C · 2021-01-01

    Chang Liu, Shenghua Zhou, Yu Xiao, Chao Zhang, Hua Lin, Yi Liu

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  3. Ba 2 BS 3 Cl and Ba 5 B 2 S 8 Cl 2 : first alkaline-earth metal thioborate halides with [BS 3 ] units

    Chemical Communications · 2021-01-01

    Jiazheng Zhou, Yu Chu, Junjie Li, Shilie Pan

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  4. Design and synthesis of Ba 3 SiSe 5 with suitable birefringence modulated via M IV atoms in the Ba–M IV –Q (M IV = Si, Ge; Q = S, Se) system

    Dalton Transactions · 2021-01-01

    Huanhuan Cheng, Abudukadi Tudi, Peng Wang, Kewang Zhang, Zhihua Yang, Shilie Pan

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  5. RbPb 8 O 4 Cl 9 : the first alkali metal lead oxyhalide with distorted [PbO 3 Cl 3 ] and [PbOCl 5 ] mixed-anion groups

    Dalton Transactions · 2021-01-01

    Zhongxu Fan, Chen Bai, Hongsheng Shi, Min Zhang, Bei Zhang, Jun Zhang, Junjie Li

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  6. ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation

    Chemistry of Materials · 2021-05-11

    Wen‐Fa Chen, Bin‐Wen Liu, Shao‐Min Pei, Qiu-Nan Yan, Xiao‐Ming Jiang, Guo‐Cong Guo

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  7. AZn4Ga5Se12 (A = K, Rb, or Cs): Infrared Nonlinear Optical Materials with Simultaneous Large Second Harmonic Generation Responses and High Laser-Induced Damage Thresholds

    Inorganic Chemistry · 2021-06-17

    Man-Man Chen, Shenghua Zhou, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  8. Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap

    Angewandte Chemie International Edition · 2021-07-24

    Ailijiang Abudurusuli, Junben Huang, Peng Wang, Zhihua Yang, Shilie Pan, Junjie Li

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  9. Li4MgGe2S7: The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap

    Angewandte Chemie · 2021-07-24

    Ailijiang Abudurusuli, Junben Huang, Peng Wang, Zhihua Yang, Shilie Pan, Junjie Li

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  10. Stepwise Li Substitution Induced Structure Evolution and Improved Nonlinear Optical Performance for Diamond-like Sulfides

    Inorganic Chemistry · 2021-07-27

    Wenfeng Zhou, Qingming Zhang, Wen‐Dong Yao, Huaiguo Xue, Sheng‐Ping Guo

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

    Coordination Chemistry Reviews · 2021-08-26

    Hong Chen, Wenbo Wei, Hua Lin, Xintao Wu

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  12. Na+/Ag+ substitution induced birefringence enhancement from AgGaS2 to NaGaS2

    Journal of Alloys and Compounds · 2021-12-04

    Yihan Yun, Wenlong Xie, Zhihua Yang, Guangmao Li, Shilie Pan

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

    Chemical Communications · 2022-01-01

    Mengran Sun, Wenhao Xing, Ming‐Hsien Lee, Jiyong Yao

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  14. LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence

    Dalton Transactions · 2022-01-01

    Alimujiang Yalikun, Kewang Zhang, Jian Wei Han, Zhihua Yang

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  15. Na 4 Ga 8 S 14 : a Ga-enriched wide band gap ternary alkali-metal sulfide with unique [Ga 12 S 42 ] 12-membered rings

    Dalton Transactions · 2022-01-01

    Ling Luo, Linan Wang, Chen Bai, Jiazheng Zhou, Lai Wei, Xin Su

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  16. Wide band gap thiophosphates ASrPS 4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation

    Dalton Transactions · 2022-01-01

    Yi Huang, Junben Huang, Yong an Zhang

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  17. 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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  18. Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold

    Inorganic Chemistry · 2022-05-05

    Wenlong Xie, Yihan Yun, Lihan Deng, Guangmao Li, Shilie Pan

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  19. NaBaBS3: A Promising Infrared Functional Material with Large Birefringence Induced by π-Conjugated [BS3] Units

    Chemistry of Materials · 2022-05-25

    Yihan Yun, Wenlong Xie, Yi Huang, Zhihua Yang, Kui Wu, Guangmao Li, Shilie Pan

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  20. A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications

    Coordination Chemistry Reviews · 2022-07-19

    Hong Chen, Mao‐Yin Ran, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  21. Biosynthesis, characterization and nonlinear optical response of spherical flake-shaped copper oxide nanostructures

    Journal of Nonlinear Optical Physics & Materials · 2022-07-26

    H.S. Sumantha, B. L. Suresha

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  22. 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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  23. LiAlS2: A promising infrared frequency-conversion material with ultrawide band gap and high laser-induced damage threshold

    Science China Materials · 2022-11-08

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  24. AIB3IIC3IIIQ8VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

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

    Coordination Chemistry Reviews · 2022-11-26

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  26. Na 2 Ba[Na 2 Sn 2 S 7 ]: Structural Tolerance Factor‐Guided NLO Performance Improvement

    Angewandte Chemie International Edition · 2022-12-21

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  27. Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement

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  28. A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response

    Inorganic Chemistry Frontiers · 2023-01-01

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  29. Melilite oxychalcogenide Sr 2 FeGe 2 OS 6 : a phase-matching IR nonlinear optical material realized by isomorphous substitution

    Inorganic Chemistry Frontiers · 2023-01-01

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  30. Revisiting two thiophosphate compounds constituting d 0 transition metal HfP 2 S 6 and d 10 transition metal α-Ag 4 P 2 S 6 as multifunctional materials for combining second harmonic generation response and photocurrent response

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    Craig Cropek, Bingheng Ji, Arka Sarkar, Fei Wang, Tajamul Hussain Syed, Wei Wei, Sheng‐Ping Guo, Jian Wang

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  31. Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization

    Coordination Chemistry Reviews · 2023-02-08

    Mao‐Yin Ran, A-Yang Wang, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  32. Excellent Static and dynamic hyperpolarizabilities of TM@C6O6Li6 (TM = Sc, Ti, V, Cr and Mn) complexes to prove their NLO applications

    Optik · 2023-02-10

    Naveen Kosar, Sunaina Wajid, Khurshid Ayub, Tariq Mahmood

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  33. First, second and third order NLO response of alkaline earth metals doped C6O6Li6 organometallic complexes

    Chemical Physics · 2023-03-23

    Naveen Kosar, Sunaina Wajid, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood

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  34. The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation

    Chemical Physics Letters · 2023-04-05

    Ruixin Zhang, Xiuhua Cui, Haiming Duan, Qun Jing, Zhaohui Chen, Ming‐Hsien Lee, Haibin Cao

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  35. Structure and Optical Properties of LixAg1–xGaSe2 and LixAg1–xInSe2

    Inorganic Chemistry · 2023-04-28

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

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

    Advanced Optical Materials · 2023-05-05

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  37. Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance

    Materials Today Physics · 2023-05-26

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  38. Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides

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  39. Three-in-One Tetrahedral Functional Units Constructing Diamondlike Ag2In2SiS3.06Se2.94 with High-Performance Nonlinear-Optical Activity

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  40. Evolution of Structures and Optical Properties in a Series of Infrared Nonlinear Optical Crystals LixAg1–xInSe2 (0 ≤ x ≤ 1)

    Inorganic Chemistry · 2023-09-20

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  41. Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation

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  42. A new nonlinear optical crystal Li0.81Ag0.19InSe2 with balanced properties for efficient nonlinear conversion in the mid-IR region

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  43. Enhancing second harmonic generation response in infrared nonlinear optical material through Pb substitution: A study of LiPbSiS compound

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  44. Ga-based IR nonlinear optical materials: Synthesis, structures, and properties

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  45. Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate

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  46. DFT investigation of M2F superalkali doped dodecafluorophenylene (C13H10F12) derivatives with remarkable static and dynamic NLO response

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  47. Selenoborates: a latent structure resource for infrared functional crystal materials

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  48. 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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  49. K4CuO2Cl2: A new alkali metal copper oxyhalide via aqueous solution processes

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

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