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RESEARCH PAPER · Inorganic Chemistry Frontiers · 2024

Effectively designing infrared nonlinear optical materials with magnetism, MMn 6 Ga 6 S 16 (M = Ca, Sr, Ba, and Pb), aided by stable open frameworks

Kaixuan Li, Yujie Zhang, Xianchao Zhu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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Effectively designing infrared nonlinear optical materials with magnetism, MMn 6 Ga 6 S 16 (M = Ca, Sr, Ba, and Pb), aided by stable open frameworksOriginalBa 2 GeF 2 Q 3 (Q = S, Se) and Ba 3 GeF 2 Se 4 : new F-based chalcohalides with enhanced birefringence9ACuGa 6 S 10 (A = Rb, Cs): Design and Synthesis of Two New Cavity‐Chalcopyrite Chalcogenides Based on “Iterative Substitution” Strategy4AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties16A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property5Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs29BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6A series of langasite-type compounds: size effect regulation for cation occupation and enhanced SHG response1LnMg 6 Ga 6 S 16 (Ln = Nd, Sm), two bifunctional optical materials exhibiting both nonlinear optical and photoluminescent properties0Strain-engineered indirect-to-direct band gap transition, photocatalytic water splitting activity, and optical responses in ACuGa 6 S 10 (A = Rb and Cs)0Computational insight into the effect of SrO substitution for CaO on the structural properties of simulated silicate-based bioactive glass2Machine learning–assisted structural characterization of ring size distribution in Sr-doped bioactive glasses: A molecular dynamics study1Eu5ZnGa6S15, Eu5Zn3Ga2Sn2S15, and Pb5HgGa6S15: Crystal Chemistry and Nonlinear Optical Properties0d-f synergistic effect contributing record-high second-harmonic generation response in phase-matchable Mn-based chalcogenides0

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  1. Ba 2 GeF 2 Q 3 (Q = S, Se) and Ba 3 GeF 2 Se 4 : new F-based chalcohalides with enhanced birefringence

    Chemical Communications · 2024-01-01

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

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  2. ACuGa 6 S 10 (A = Rb, Cs): Design and Synthesis of Two New Cavity‐Chalcopyrite Chalcogenides Based on “Iterative Substitution” Strategy

    Chemistry - A European Journal · 2024-10-17

    Kaixuan Li, Xingyu Zhang, Binqiang Chai, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  3. AI2Mg3Ga12S22 (AI = K, Rb): T2-type supertetrahedra coupled with [MgS6] octahedra for designing wide-band gap infrared nonlinear optical materials with well-balanced properties

    Science China Materials · 2025-01-22

    Mengmeng Chen, Xu Liu, Abudukadi Tudi, Cui Chen, Qixian Ren, Zhihua Yang, Yabo Wu, Shilie Pan

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  4. A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property

    Chinese Journal of Structural Chemistry · 2025-03-24

    Qi Sun, Hongshan Wang, Linlin Liu, Zuxin Chen, Junjie Li, Shilie Pan

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  5. Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs

    Coordination Chemistry Reviews · 2025-09-03

    Hong Chen, Xin‐Tao Wu, Hua Lin

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  6. BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach

    Materials Today Chemistry · 2025-10-25

    Puxuan Wang, Deman Kong, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  7. A series of langasite-type compounds: size effect regulation for cation occupation and enhanced SHG response

    Inorganic Chemistry Frontiers · 2026-01-01

    Zhi Deng, Nian‐Tzu Suen, Zhen‐Cheng Wu, Huizhi Gao, Sheng‐Ping Guo

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  8. LnMg 6 Ga 6 S 16 (Ln = Nd, Sm), two bifunctional optical materials exhibiting both nonlinear optical and photoluminescent properties

    Dalton Transactions · 2026-01-01

    Jiankang Wang, Y. Q. Chen, Jiale Chen, Chengbo Li, Haipeng Zhou, Guisheng Xu, Xiu Zhu, Jinfeng Liu

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  9. Strain-engineered indirect-to-direct band gap transition, photocatalytic water splitting activity, and optical responses in ACuGa 6 S 10 (A = Rb and Cs)

    RSC Advances · 2026-01-01

    Muhammad Usama, Hafiz Tauqeer Ali, Bassem F. Felemban, Arslan Zulfiqar, Safdar Nazir

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  10. Computational insight into the effect of SrO substitution for CaO on the structural properties of simulated silicate-based bioactive glass

    Results in Materials · 2026-06-01

    Amirhossein Moghanian

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  11. Machine learning–assisted structural characterization of ring size distribution in Sr-doped bioactive glasses: A molecular dynamics study

    Ceramics International · 2026-06-09

    Amirhossein Moghanian, Francesco Baino

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  12. Eu5ZnGa6S15, Eu5Zn3Ga2Sn2S15, and Pb5HgGa6S15: Crystal Chemistry and Nonlinear Optical Properties

    Inorganic Chemistry · 2026-08-12

    Xu‐Bin Ni, Qiu-Yang Du, Wen‐Dong Yao, Si Yang, Wen-Rui Zhou, Wenfeng Zhou, Ru‐Ling Tang, Sheng‐Ping Guo

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  13. d-f synergistic effect contributing record-high second-harmonic generation response in phase-matchable Mn-based chalcogenides

    Chinese Chemical Letters · 2026-09-01

    Yu‐Xuan Zhang, Sheng-Xian Xiao, Zhen-Cheng Wu, Mao‐Yin Ran, Sheng‐Ping Guo

    Read original paper ↗ ·
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