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RESEARCH PAPER · Chemical Science · 2024

Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides

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Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluoridesOriginalHydrogen‐Bonded Assembly of Functional Units for Constructing Linear and Nonlinear Optical Crystals10Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)3Synergistic triple-site engineering in ABX-type hybrid halides for high-performance nonlinear optical crystals13KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure13KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure5Organic Halogen Substitution-Driven Halogen Bonding Induces Polar 3D Supramolecular Framework and Second-Harmonic-Generation Response7Structural Modulation in Short Peptide Crystals from Centrosymmetric to Noncentrosymmetric Achieving Piezoelectricity3Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances2KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy7Novel Ruddlesden–Popper double anti-perovskites Mg 4 AA′C: first-principles screening and device simulation study for high-efficiency photovoltaic absorbers0First-principles investigation of A3BrO (A = Li, Na, K, Rb) antiperovskites for PV and optoelectronic devices0Fluorine‐Driven Chemical Scissor Effect in Scandium Borates: Structural Evolution with Retained Optically Active Motifs0Λ‐Shaped Dimers Enables Polar Antiperovskites Through A‐Site Displacement Mechanism0

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  1. Hydrogen‐Bonded Assembly of Functional Units for Constructing Linear and Nonlinear Optical Crystals

    Advanced Optical Materials · 2025-04-29

    Ziqi Chen, Changyou Liu, Chenxu Li, Juanjuan Lu, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  2. Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)

    Inorganic Chemistry · 2025-05-26

    Chao Yang Feng, Shuoxing Yang, Chenyu Zhu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  3. Synergistic triple-site engineering in ABX-type hybrid halides for high-performance nonlinear optical crystals

    Chinese Chemical Letters · 2025-05-29

    Yuwei Kang, Can Yang, Jun Zhang, Qi Wu

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  4. KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure

    Angewandte Chemie International Edition · 2025-09-14

    Yuchen Yan, Xin Wen, Piao Tang, Jingyao Lu, Jindong Chen, Jiyang Wang, Zhanggui Hu, Ning Ye, Guang Peng

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  5. KF·[SO 2 (NH 2 ) 2 ]: the First Deep‐Ultraviolet Transparent Sulfonamide Fluoride Nonlinear Optical Crystal with Novel Cairo Pentagonal Structure

    Angewandte Chemie · 2025-09-14

    Yuchen Yan, Xin Wen, Piao Tang, Jingyao Lu, Jindong Chen, Jiyang Wang, Zhanggui Hu, Ning Ye, Guang Peng

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  6. Organic Halogen Substitution-Driven Halogen Bonding Induces Polar 3D Supramolecular Framework and Second-Harmonic-Generation Response

    Inorganic Chemistry · 2025-09-17

    Mingchang Wang, Jiajia Li, Yan Chen, Ke‐Zhao Du, Jin Chen

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  7. Structural Modulation in Short Peptide Crystals from Centrosymmetric to Noncentrosymmetric Achieving Piezoelectricity

    ACS Applied Materials & Interfaces · 2025-10-17

    Mei‐Ling Tan, Yuanyu Luo, Shuaijie Liu, Yehong Huo, Jingwen Zhao, XU Xiao-hui, Jinlin Song, Wei Ji

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  8. Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances

    Inorganic Chemistry Frontiers · 2025-11-24

    Jiaxue Wang, Yixin Song, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  9. KCd(IO 3 ) 2 Cl: A New UV NLO Crystal with Balanced Optical Properties Engineering via Target‐Driven Multi‐Ion Substitution Strategy

    Small · 2025-12-15

    Lei Hou, Siyu Li, Wencong Li, Bingchen Xiao, Yaoqing Chu, Bingbing Zhang, Ying Wang, Xinglong Chen, Lili Liu

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  10. Novel Ruddlesden–Popper double anti-perovskites Mg 4 AA′C: first-principles screening and device simulation study for high-efficiency photovoltaic absorbers

    Journal of Materials Chemistry A · 2026-01-01

    Yuqi Zhang, Kai Li, Siyu Zhang, Yanzhao Liu, Min Zhang

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  11. First-principles investigation of A3BrO (A = Li, Na, K, Rb) antiperovskites for PV and optoelectronic devices

    Computational Condensed Matter · 2026-01-05

    Abu Taher, Rana Mia, M.Atikur Rahman, Mohammad Abdul Alim

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  12. Fluorine‐Driven Chemical Scissor Effect in Scandium Borates: Structural Evolution with Retained Optically Active Motifs

    Chinese Journal of Chemistry · 2026-08-03

    Linsen Wang, Qianzhen Zhang, Ran An, Zhihua Yang, Yun Yang, Xueyan Wu

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  13. Λ‐Shaped Dimers Enables Polar Antiperovskites Through A‐Site Displacement Mechanism

    Advanced Functional Materials · 2026-08-30

    Shuoxing Yang, Hongping Wu, Zhanggui Hu, Hongwei Yu

    Read original paper ↗ ·