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RESEARCH PAPER · RSC Advances · 2017

BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations

Leyan Nian, Junben Huang, Kui Wu, Zhi Su, Zhihua Yang, Shilie Pan

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BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculationsOriginalSynthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials245Experimental and theoretical studies on the NLO properties of two quaternary non-centrosymmetric chalcogenides: BaAg 2 GeS 4 and BaAg 2 SnS 468Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)13Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)63Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625Cu2EuMQ4 (M = Si, Ge; Q = S, Se): Syntheses, structure study and physical properties determination26Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials90From 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 threshold22Metal-cation substitutions induced the enhancement of second harmonic generation in A 8 BS 6 (A = Cu, and Ag; B = Si, Ge, and Sn)14Mn-Based tin sulfide Sr 3 MnSn 2 S 8 with a wide band gap and strong nonlinear optical response30Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 452Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag)9BaCuSiTe 3 : A Noncentrosymmetric Semiconductor with CuTe 4 Tetrahedra and Ethane-like Si 2 Te 6 Units11Solvothermal syntheses, characterizations and semiconducting properties of four quaternary thioargentates Ba2AgInS4, Ba3Ag2Sn2S8, BaAg2MS4 (M = Sn, Ge)21Rb10Zn4Sn4S17: A Chalcogenide with Large Laser Damage Threshold Improved from the Mn-Based Analogue27Solvothermal Syntheses and Characterizations of Four Quaternary Copper Sulfides BaCu3MS4 (M = In, Ga) and BaCu2MS4 (M = Sn, Ge)27A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Rational design of infrared nonlinear optical chalcogenides by chemical substitution287A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties59Ab Initio Calculations of Structural, Mechanic, Electronic and Optical Properties of Ag2BaSn(Se, S)4 in Kesterite Structure1Enhanced optical anisotropy via dimensional control in alkali-metal chalcogenides18Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design38An assessment of the structural, electronic, optical and thermoelectric properties of the BaAg2GeS4 compound11A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Thermal properties of BaCu2SnQ4 (Q = S, Se) quaternary chalcogenides8From AgGaS 2 to AgHgPS 4 : vacancy defects and highly distorted HgS 4 tetrahedra double-induced remarkable second-harmonic generation response67Aliovalent-cation-substitution-induced structure transformation: a new path toward high-performance IR nonlinear optical materials47Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba 4 GaS 4 F 311The promising thermoelectric performance of newly synthesized bulk SrCu2GeSe4 and BaCu2SnSe4 associated with superior band degeneracy2Regularities of the property changes in the compounds EuLnCuS3 (Ln = La-Lu)18Highly 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 846Triclinic Layered A2ZnSi3S8 (A = Rb and Cs) with Large Optical Anisotropy and Systematic Research on the Inherent Structure–Performance Relationship in the A2MIIBMIV3Q8 Family11Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Diffraction of helical x-rays by optically active achiral crystals1KAg3Ga8S14: An Mid- and Far-infrared Nonlinear Optical Material Exhibiting High Laser-induced Damage Threshold※3NaBaBS3: 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 applications114(Na0.74Ag1.26)BaSnS4: A New AgGaS2‐Type Nonlinear Optical Sulfide with a Wide Band Gap and High Laser Induced Damage Threshold14Mild solvothermal syntheses and crystal structures of two quaternary hetero-transition metal sulfides RbAg5HgS4 and CsAgHgS25Na 2 Ba[Na 2 Sn 2 S 7 ]: Structural Tolerance Factor‐Guided NLO Performance Improvement50Na2Ba[Na2Sn2S7]: Structural Tolerance Factor‐Guided NLO Performance Improvement0First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications27AEAg7(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 gap1BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Syntheses, Crystal Structures, and Electronic Structures of Quaternary Group IV-Selenide Semiconductors10Large Mid-Infrared Second-Harmonic Generation in Eu(II)-Based Quaternary Chalcogenides19Solvothermal syntheses, structures and properties of quaternary alkaline earth metal sulfides BaCu6Ge2S8 and BaCuAsS33The electronic, optical and transport properties of BaAgMF (M = Se, Te) quaternary chalcogenides: a systematic first-principles study3Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6Ba 4 Al 4 SnS 12 : balancing bandgap and nonlinear optical performance in thioaluminate via multifunctional group engineering0A New Infrared Nonlinear Optical Crystal Ba 5 Zn 3 Ga 2 Sn 2 Se 15 with Congruent Melting Behavior Based on Mixed-Metal T2-Supertetrahedral Units1

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  1. Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se13

    Journal of Solid State Chemistry · 2017-08-16

    Ailijiang Abudurusuli, Hanqin Ding, Kui Wu

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  2. New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials

    Journal of the American Chemical Society · 2017-09-25

    Kui Wu, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  3. Experimental and theoretical studies on the NLO properties of two quaternary non-centrosymmetric chalcogenides: BaAg 2 GeS 4 and BaAg 2 SnS 4

    Dalton Transactions · 2017-11-27

    Hong Chen, Pei-Fei Liu, Bingxuan Li, Hua Lin, Li‐Ming Wu, Xin‐Tao Wu

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  4. Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation

    New Journal of Chemistry · 2018-01-01

    Ailijiang Abudurusuli, Kui Wu, Shilie Pan

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  5. Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)

    Dalton Transactions · 2018-01-01

    Ruijiao Chen, Xiaowen Wu, Zhi Su

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  6. Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)

    Inorganic Chemistry · 2018-03-06

    Leyan Nian, Kui Wu, Guijie He, Zhihua Yang, Shilie Pan

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  7. Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S16

    Crystal Growth & Design · 2018-08-16

    Ruihuan Duan, Rui‐An Li, Pengfei Liu, Hua Lin, Yue Wang, Li‐Ming Wu

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  8. Cu2EuMQ4 (M = Si, Ge; Q = S, Se): Syntheses, structure study and physical properties determination

    Journal of Solid State Chemistry · 2018-09-25

    Zongdong Sun, Yang Chi, Sheng‐Ping Guo

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  9. Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials

    Journal of Materials Chemistry C · 2019-01-01

    Hua Lin, Yanyan Li, Mengyue Li, Zuju Ma, Li‐Ming Wu, Xintao Wu, Qi‐Long Zhu

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  10. 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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  11. Metal-cation substitutions induced the enhancement of second harmonic generation in A 8 BS 6 (A = Cu, and Ag; B = Si, Ge, and Sn)

    New Journal of Chemistry · 2019-01-01

    Le Gao, Ming‐Hsien Lee, Jun Zhang

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  12. Mn-Based tin sulfide Sr 3 MnSn 2 S 8 with a wide band gap and strong nonlinear optical response

    Journal of Materials Chemistry C · 2019-01-01

    Chuang Liu, Dajiang Mei, Wangzhu Cao, Yi Jin Yang, Yuandong Wu, Guobao Li, Zheshuai Lin

    Read original paper ↗ ·

  13. Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 4

    Journal of Materials Chemistry C · 2019-01-01

    Yiling Zhang, Dajiang Mei, Yi Jin Yang, Wangzhu Cao, Yuandong Wu, Jie Lü, Zheshuai Lin

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  14. Syntheses, structures, optical properties, and electronic structures of Ba6Cu2GSn4S16 (G = Fe, Ni) and Sr6D2FeSn4S16 (D = Cu, Ag)

    Journal of Solid State Chemistry · 2019-01-29

    Ling‐Yun Zhang, Dajiang Mei, Yuanwang Wu, Chenfei Shen, Wenxin Hu, Lujia Zhang, Jinjin Li, Yuandong Wu, Xiao Dong He

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  15. BaCuSiTe 3 : A Noncentrosymmetric Semiconductor with CuTe 4 Tetrahedra and Ethane-like Si 2 Te 6 Units

    Inorganic Chemistry · 2019-08-20

    Parisa Jafarzadeh, Luke T. Menezes, Mengyang Cui, Abdeljalil Assoud, Weiguo Zhang, P. Shiv Halasyamani, Holger Kleinke

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  16. Solvothermal syntheses, characterizations and semiconducting properties of four quaternary thioargentates Ba2AgInS4, Ba3Ag2Sn2S8, BaAg2MS4 (M = Sn, Ge)

    Journal of Alloys and Compounds · 2019-09-23

    Yan Liu, Yanhua Li, Jie Zhao, Ren‐Chun Zhang, Min Ji, Zhong‐Lu You, Yong‐Lin An

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  17. Rb10Zn4Sn4S17: A Chalcogenide with Large Laser Damage Threshold Improved from the Mn-Based Analogue

    Inorganic Chemistry · 2019-10-14

    Jun Zhao, Dajiang Mei, Yi Jin Yang, Wangzhu Cao, Chuang Liu, Yuandong Wu, Zheshuai Lin

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  18. Solvothermal Syntheses and Characterizations of Four Quaternary Copper Sulfides BaCu3MS4 (M = In, Ga) and BaCu2MS4 (M = Sn, Ge)

    Inorganic Chemistry · 2019-11-04

    Yan Liu, Xuedan Song, Ren‐Chun Zhang, Fengyi Zhou, Jiangwei Zhang, Xiao‐Ming Jiang, Min Ji, Yong‐Lin An

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  19. A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals

    Journal of Materials Chemistry C · 2019-12-10

    Ya Feng Yang, Kui Wu, Xiaowen Wu, Bingbing Zhang, Lihua Gao

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  20. Rational design of infrared nonlinear optical chalcogenides by chemical substitution

    Coordination Chemistry Reviews · 2019-12-21

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

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  21. 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

    Chemical Communications · 2020-01-01

    Guangmao Li, Zhihua Yang, Junjie Li, Shilie Pan

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  22. Ab Initio Calculations of Structural, Mechanic, Electronic and Optical Properties of Ag2BaSn(Se, S)4 in Kesterite Structure

    Springer proceedings in energy · 2020-01-01

    Rabia Rahmani, Bouhalouane Amrani, Kouider Driss-Khodja, Hayat Sediki

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  23. Enhanced optical anisotropy via dimensional control in alkali-metal chalcogenides

    Physical Chemistry Chemical Physics · 2020-01-01

    Jingmei Min, Ailijiang Abudurusuli, Junjie Li, Shilie Pan, Zhihua Yang

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  24. Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior

    Chemistry of Materials · 2020-01-21

    Ya Feng Yang, Kui Wu, Bingbing Zhang, Xiaowen Wu, Ming‐Hsien Lee

    Read original paper ↗ ·

  25. Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design

    Chemistry of Materials · 2020-01-30

    Jon‐Paul Sun, Garrett C. McKeown Wessler, Tianlin Wang, Tong Zhu, Volker Blüm, David B. Mitzi

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  26. An assessment of the structural, electronic, optical and thermoelectric properties of the BaAg2GeS4 compound

    Journal of Solid State Chemistry · 2020-02-14

    Mosayeb Naseri, D.M. Hoat, Rodrigo Ponce-Pérez, Juan Francisco Rivas-Silva, Gregorio H. Cocoletzi

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  27. A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs

    Coordination Chemistry Reviews · 2020-05-25

    Kui Wu, Ya Feng Yang, Lihua Gao

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  28. Thermal properties of BaCu2SnQ4 (Q = S, Se) quaternary chalcogenides

    Applied Physics Letters · 2020-08-31

    Wilarachchige D. C. B. Gunatilleke, Andrew F. May, Hsin Wang, George S. Nolas

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  29. From AgGaS 2 to AgHgPS 4 : vacancy defects and highly distorted HgS 4 tetrahedra double-induced remarkable second-harmonic generation response

    Journal of Materials Chemistry C · 2020-12-12

    Wenhao Xing, Naizheng Wang, Chunlan Tang, Chunxiao Li, Zheshuai Lin, Jiyong Yao, Wenlong Yin, Bin Kang

    Read original paper ↗ ·

  30. 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

    Read original paper ↗ ·

  31. Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba 4 GaS 4 F 3

    Dalton Transactions · 2021-01-01

    Hongbo Gao, Ruijiao Chen, Kewang Zhang, Ailijiang Abudurusuli, Kangrong Lai, Junjie Li

    Read original paper ↗ ·

  32. The promising thermoelectric performance of newly synthesized bulk SrCu2GeSe4 and BaCu2SnSe4 associated with superior band degeneracy

    Applied Physics Express · 2021-03-10

    Cong Wang, Guangqian Ding

    Read original paper ↗ ·

  33. Regularities of the property changes in the compounds EuLnCuS3 (Ln = La-Lu)

    Journal of Alloys and Compounds · 2021-04-18

    Аnna V. Ruseikina, V. A. Chernyshev, Dmitriy A. Velikanov, Aleksandr S. Aleksandrovsky, Nikolay P. Shestakov, Мaxim S. Моlokeev, Maxim V. Grigoriev, О. В. Андреев, Alexander A. Garmonov, Alexey V. Matigorov, Ludmila V. Melnikova, Anatoliy A. Kislitsyn, Svetlana S. Volkova

    Read original paper ↗ ·

  34. 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

    ACS Applied Materials & Interfaces · 2021-07-28

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

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  35. Triclinic Layered A2ZnSi3S8 (A = Rb and Cs) with Large Optical Anisotropy and Systematic Research on the Inherent Structure–Performance Relationship in the A2MIIBMIV3Q8 Family

    Inorganic Chemistry · 2021-07-28

    Lihua Gao, Ya Feng Yang, Bingbing Zhang, Xiaowen Wu, Kui Wu

    Read original paper ↗ ·

  36. 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

    Read original paper ↗ ·

  37. Diffraction of helical x-rays by optically active achiral crystals

    Physical review. B./Physical review. B · 2021-12-03

    Stephen William Lovesey

    Read original paper ↗ ·

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

    化学学报 · 2022-01-01

    Jin-Xu Zhao, Mingshu Zhang, Wen‐Fa Chen, Xiao‐Ming Jiang, Binwen Liu, Guo‐Cong Guo

    Read original paper ↗ ·

  39. 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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  40. 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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  41. (Na0.74Ag1.26)BaSnS4: A New AgGaS2‐Type Nonlinear Optical Sulfide with a Wide Band Gap and High Laser Induced Damage Threshold

    Chemistry - A European Journal · 2022-08-10

    Wenfeng Zhou, Wenlong Liu, Sheng‐Ping Guo

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  42. Mild solvothermal syntheses and crystal structures of two quaternary hetero-transition metal sulfides RbAg5HgS4 and CsAgHgS2

    Journal of Solid State Chemistry · 2022-11-11

    Zhangbin Song, Tong Liu, Yan Liu, Bin Zhang, Shasha Song, Zengdian Zhao

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

    Angewandte Chemie International Edition · 2022-12-21

    Rui‐An Li, Qianqian Liu, Xin Liu, Youquan Liu, Xingxing Jiang, Zheshuai Lin, Fei Jia, Lin Xiong, Ling Chen, Li‐Ming Wu

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

    Angewandte Chemie · 2022-12-21

    Rui‐An Li, Qianqian Liu, Xin Liu, Youquan Liu, Xingxing Jiang, Zheshuai Lin, Fei Jia, Lin Xiong, Ling Chen, Li‐Ming Wu

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  45. First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications

    Optical and Quantum Electronics · 2023-07-18

    Muhammad Abubakr, Zeesham Abbas, Adeela Naz, H. M. Waseem Khalil, Muhammad Asghar Khan, Honggyun Kim, Karim Khan, Mohamed Ouladsmane, Shania Rehman, Deok‐kee Kim, Muhammad Farooq Khan

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  46. 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

    Read original paper ↗ ·

  47. 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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  48. Syntheses, Crystal Structures, and Electronic Structures of Quaternary Group IV-Selenide Semiconductors

    Inorganic Chemistry · 2024-03-27

    Subhendu Jana, Eric A. Gabilondo, Scott McGuigan, Paul A. Maggard

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  49. Large Mid-Infrared Second-Harmonic Generation in Eu(II)-Based Quaternary Chalcogenides

    Chemistry of Materials · 2024-09-19

    Subhendu Jana, Eric A. Gabilondo, Machima Mongkhonratanachai, Yujie Zhang, P. Shiv Halasyamani, Paul A. Maggard

    Read original paper ↗ ·

  50. Solvothermal syntheses, structures and properties of quaternary alkaline earth metal sulfides BaCu6Ge2S8 and BaCuAsS3

    Journal of Alloys and Compounds · 2024-09-30

    Yanhua Li, Ruibing Wang, Haihong Wu, Yong Xie, Yan Liu

    Read original paper ↗ ·
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