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RESEARCH PAPER · RSC Advances · 2015

Ba 2 GeS 4 and Mg 2 SnS 4 : synthesis, structures, optical properties and electronic structures

Kui Wu, Shilie Pan, Zhihua Yang

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Ba 2 GeS 4 and Mg 2 SnS 4 : synthesis, structures, optical properties and electronic structuresOriginalAn investigation of new infrared nonlinear optical material: BaCdSnSe 4 , and three new related centrosymmetric compounds: Ba 2 SnSe 4 , Mg 2 GeSe 4 , and Ba 2 Ge 2 S 696Ba 7 (BO 3 ) 3 GeO 4 X (X = Cl, Br): borogermanate halides with rigid GeO 4 tetrahedra and flexible XBa 6 octahedra11ChemInform Abstract: Ba2GeS4 and Mg2SnS4: Synthesis, Structures, Optical Properties and Electronic Structures.0BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties97Na 9 Sb(Ge 2 Q 6 ) 2 (Q = S, Se): two new antimony( iii ) quaternary chalcogenides with ethane-like [Ge 2 Q 6 ] 6− ligands12Na 2 Hg 3 M 2 S 8 (M = Si, Ge, and Sn): New Infrared Nonlinear Optical Materials with Strong Second Harmonic Generation Effects and High Laser-Damage Thresholds186Na 2 BaMQ 4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations202Na2BaMQ4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations44Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 252Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137Structural 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)13A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials78Synthesis, crystal structure, and electronic structure of Ba2GeTe3(Te2)12Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A 2 GeSe 4 (A = Mg, Ca and γ -Sr) from first principles7Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations17First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A 2 GeSe 4 (A = Mg; γ -Sr) surfaces for a promising visible light photocatalytic application3Design 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) system3Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K 2 HgSnSe 4 and three-dimensional Na 6 Cu 8 Sn 3 Se 1323Li 4 MgGe 2 S 7 : The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap214Li4MgGe2S7: The First Alkali and Alkaline‐Earth Diamond‐Like Infrared Nonlinear Optical Material with Exceptional Large Band Gap16Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)12A new non-stoichiometric quaternary sulfide Ba3.14(4)Sn0.61(1)Bi2.39(1)S8: Synthesis, crystal structure, physical properties, and electronic structure7The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps68Ba3GeTeS4: A new quaternary heteroanionic chalcogenide semiconductor8Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit38Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit1First principles quantum analysis of structural, electronic, optical and thermoelectric properties of XCu2GeQ4 (X = Ba, Sr and Q = S, Se) for energy applications27Exploring the electronic, optical, and thermoelectric properties of Ba2GeX4 (X = S, and Se) novel chalcogenides3Flexible Anionic Groups‐Activated Structure Dissymmetry for Strong Nonlinearity in Ln 2 Ae 3 M IV 3 S 12 Family16Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides30Ionothermal syntheses, structures, and photocurrent responses of two-dimensional layered thiostannates1Establishement of generalized empirical force-fields for sulfide glasses and crystals used as superionic electrolytes in all-solid-state batteries0Modulating Nonlinear Optical Performances in α/β-SnGa2GeS6 Polymorphs via Atomic Coordination Engineering1Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6Emerging optoelectronic chalcogenides CdCu₂GeX₄ (X = S, se): A first-principles study of electronic, optical, and thermal properties2Energy-driven optoelectronic and mechanical insights into X 3 GeC (X = Mn, Ni) antiperovskites2Extremely low thermal conductivity of Ba2SiSe4−xTex: Structural aspects and bandgap tuning by mixing Se and Te0Heterometallic Ge–O–Sn-Bridged Oxychalcogenides Sr3GeSnO4Q3 (Q = S, Se) with Wide Band Gaps and Moderate Infrared Nonlinear Optical Responses0Synergistic electrocatalytic detection and photocatalytic degradation of ofloxacin antibiotic using a novel p-n type semiconducting Cu-MOF/MgSnS4@GQD nano-heterojunction0

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  1. An investigation of new infrared nonlinear optical material: BaCdSnSe 4 , and three new related centrosymmetric compounds: Ba 2 SnSe 4 , Mg 2 GeSe 4 , and Ba 2 Ge 2 S 6

    Dalton Transactions · 2015-01-01

    Kui Wu, Xin Su, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  2. Ba 7 (BO 3 ) 3 GeO 4 X (X = Cl, Br): borogermanate halides with rigid GeO 4 tetrahedra and flexible XBa 6 octahedra

    RSC Advances · 2015-01-01

    Ming Wen, Zhipeng Lian, Hongping Wu, Xin Su, Qingfeng Yan, Juanjuan Lu, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  3. ChemInform Abstract: Ba2GeS4 and Mg2SnS4: Synthesis, Structures, Optical Properties and Electronic Structures.

    ChemInform · 2015-06-25

    Kui Wu, Shilie Pan, Zhihua Yang

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  4. BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties

    Dalton Transactions · 2016-01-01

    Ni Zhen, Kui Wu, Ying Wang, Qiang Li, Wenhui Gao, Dianwei Hou, Zhihua Yang, Huaidong Jiang, Yongjun Dong, Shilie Pan

    Read original paper ↗ ·

  5. Na 9 Sb(Ge 2 Q 6 ) 2 (Q = S, Se): two new antimony( iii ) quaternary chalcogenides with ethane-like [Ge 2 Q 6 ] 6− ligands

    RSC Advances · 2016-01-01

    Xiaowen Wu, Yi Hu, Hui Pan, Zhi Su

    Read original paper ↗ ·

  6. Na 2 Hg 3 M 2 S 8 (M = Si, Ge, and Sn): New Infrared Nonlinear Optical Materials with Strong Second Harmonic Generation Effects and High Laser-Damage Thresholds

    Chemistry of Materials · 2016-04-05

    Kui Wu, Zhihua Yang, Shilie Pan

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  7. Na 2 BaMQ 4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations

    Angewandte Chemie International Edition · 2016-04-21

    Kui Wu, Zhihua Yang, Shilie Pan

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  8. Na2BaMQ4 (M=Ge, Sn; Q=S, Se): Infrared Nonlinear Optical Materials with Excellent Performances and that Undergo Structural Transformations

    Angewandte Chemie · 2016-04-21

    Kui Wu, Zhihua Yang, Shilie Pan

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  9. Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold

    Journal of the American Chemical Society · 2016-05-19

    Guangmao Li, Kui Wu, Qiong Liu, Zhihua Yang, Shilie Pan

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

    RSC Advances · 2017-01-01

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

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  11. Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 2

    Dalton Transactions · 2017-01-01

    Pengfei Liu, Yanyan Li, Yujun Zheng, Ju‐Song Yu, Ruihuan Duan, Hong Chen, Hua Lin, Ling Chen, Li‐Ming Wu

    Read original paper ↗ ·

  12. 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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  13. 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

    Read original paper ↗ ·

  14. A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials

    Chemical Science · 2019-01-01

    Kui Wu, Yu Chu, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  15. Synthesis, crystal structure, and electronic structure of Ba2GeTe3(Te2)

    Solid State Sciences · 2019-09-14

    Jai Prakash, Adel Mesbah, Sébastien Lebègue∥, James A. Ibers

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  16. Investigation of structural, mechanical, dynamic, electronic and optical properties of seleno-germanates A 2 GeSe 4 (A = Mg, Ca and γ -Sr) from first principles

    Materials Today Communications · 2019-12-04

    Abdu Barde, Daniel P. Joubert

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  17. Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations

    Inorganic Chemistry · 2020-09-28

    Luke T. Menezes, Abdeljalil Assoud, Weiguo Zhang, P. Shiv Halasyamani, Holger Kleinke

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  18. First-principles calculations of electronic properties, surface stability and photocatalytic potentials of seleno-germanates A 2 GeSe 4 (A = Mg; γ -Sr) surfaces for a promising visible light photocatalytic application

    Materials Today Communications · 2020-12-03

    Abdu Barde, Daniel P. Joubert

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  19. 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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  20. Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K 2 HgSnSe 4 and three-dimensional Na 6 Cu 8 Sn 3 Se 13

    CrystEngComm · 2021-01-01

    Gele Teri, Na Li, Sagala Bai, E. Namila, Menghe Baiyin

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  21. 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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  22. 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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  23. Syntheses, Structures and Properties of Alkali and Alkaline Earth Metal Diamond-Like Compounds Li2MgMSe4 (M = Ge, Sn)

    Materials · 2021-10-18

    Hongbo Gao, Kewang Zhang, Ailijiang Abudurusuli, Chen Bai, Zhihua Yang, Kangrong Lai, Junjie Li, Shilie Pan

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  24. A new non-stoichiometric quaternary sulfide Ba3.14(4)Sn0.61(1)Bi2.39(1)S8: Synthesis, crystal structure, physical properties, and electronic structure

    Journal of Solid State Chemistry · 2022-01-19

    Subhendu Jana, Gopabandhu Panigrahi, Bikash Tripathy, Sairam K. Malladi, Manish K. Niranjan, Jai Prakash

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  25. 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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  26. Ba3GeTeS4: A new quaternary heteroanionic chalcogenide semiconductor

    Journal of Solid State Chemistry · 2023-04-05

    Sweta Yadav, Gopabandhu Panigrahi, Manish K. Niranjan, Jai Prakash

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  27. 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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  28. 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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  29. 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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  30. Exploring the electronic, optical, and thermoelectric properties of Ba2GeX4 (X = S, and Se) novel chalcogenides

    Journal of Solid State Chemistry · 2023-07-30

    Banat Gul, Muhammad Salman Khan, Bashir Ahmad, Govindasami Periyasami, Mostafizur Rahaman, Hijaz Ahmad

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  31. Flexible Anionic Groups‐Activated Structure Dissymmetry for Strong Nonlinearity in Ln 2 Ae 3 M IV 3 S 12 Family

    Small · 2023-10-24

    Jingjing Xu, Yan Xiao, Kui Wu, Bingbing Zhang, Dazhi Lu, Haohai Yu, Huaijin Zhang

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  32. Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides

    Journal of the American Chemical Society · 2024-09-16

    Yuanding Yu, Shiyi Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  33. Ionothermal syntheses, structures, and photocurrent responses of two-dimensional layered thiostannates

    Journal of Solid State Chemistry · 2025-02-20

    Chang Liu, Xiaoxiao Gao, Xiaoxiao Gao, Pan Gao, Wen-Jing Tian, Zifan Wang, Yi Liu

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  34. Establishement of generalized empirical force-fields for sulfide glasses and crystals used as superionic electrolytes in all-solid-state batteries

    Journal of Non-Crystalline Solids · 2025-09-08

    L.‐M. Poitras, M. Micoulaut

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  35. Modulating Nonlinear Optical Performances in α/β-SnGa2GeS6 Polymorphs via Atomic Coordination Engineering

    Inorganic Chemistry · 2025-09-20

    Jingjing Xu, Yan Xiao, Dazhi Lu, Bingbing Zhang, Kui Wu, Haohai Yu, Huaijin Zhang

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  36. Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties

    Coordination Chemistry Reviews · 2025-11-19

    Wei Huang, Chi Wang, Guohong Tang, Kexin Huang, Baojun Chen, Z. Y. He, Z. Y. He

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  37. Emerging optoelectronic chalcogenides CdCu₂GeX₄ (X = S, se): A first-principles study of electronic, optical, and thermal properties

    Chemical Physics · 2026-02-27

    Ahmed Azzouz‐Rached, Amir Ullah, Salma Alshehri, Vineet Tirth, Ali Algahtani, Saleha Qissi, Wafa S. Aljuaid, Essam A. Al‐Ammar, Nasir Rahman, Mudasser Husain

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  38. Energy-driven optoelectronic and mechanical insights into X 3 GeC (X = Mn, Ni) antiperovskites

    Modern Physics Letters B · 2026-04-10

    Amir Ullah, Vineet Tirth, Ali Algahtani, Wafa S. Aljuaid, Eman M. Alshehri, Hind Mohammed Albalawi, Essam A. Al‐Ammar, Shah Zeb Ullah, Muhammad Tufail Yousaf, Nasir Rahman

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  39. Extremely low thermal conductivity of Ba2SiSe4−xTex: Structural aspects and bandgap tuning by mixing Se and Te

    Inorganic Chemistry Communications · 2026-04-22

    Sweta Yadav, Komal Srivastava, Swati, Sayani Barman, Sambit S.S. Rout, Jai Prakash

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  40. Heterometallic Ge–O–Sn-Bridged Oxychalcogenides Sr3GeSnO4Q3 (Q = S, Se) with Wide Band Gaps and Moderate Infrared Nonlinear Optical Responses

    Inorganic Chemistry · 2026-07-25

    Cihai Hong, Aoge Yao, Chunlan Tang, Zhihui Zhang, Jian Tang, Lei Kang, Jing Zhao, Wenlong Yin, Bin Kang

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  41. Synergistic electrocatalytic detection and photocatalytic degradation of ofloxacin antibiotic using a novel p-n type semiconducting Cu-MOF/MgSnS4@GQD nano-heterojunction

    Inorganic Chemistry Communications · 2026-08-26

    Sobandhar Prakash Bharath Kumar, Sabbanahalli Chetana, Veda Bandigowdanahalli Prabhuswamy, B. Mahesh, Alina Sionkowska, Ningappa Kumara Swamy

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