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RESEARCH PAPER · Science China Materials · 2022

CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalization

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CaBO2F: A novel deep-UV structural template with high nonlinear optical performance induced by electron delocalizationOriginalEnhancement of birefringence and refractive index dispersion optimization from iodates to fluorooxoiodates1Linear π-conjugated units of the D ∞h point group as superior ultraviolet birefringent units1Fluorooxoborates: A precious treasure of deep-ultraviolet nonlinear optical materials24CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap2Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence79Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence9Prediction of Promising Deep Ultraviolet Nonlinear Optical Materials in the Li 2 O–B 2 O 3 System7Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains5A prediction-driven database to enable rapid discovery of nonlinear optical materials46Vanadate Crystals with an Enhanced Birefringence and a Broadened Transparency Spectrum through Controlled [VO3]∞ Chain Arrangements and Alkali Metal Cation Introduction4A deep-ultraviolet nonlinear-optical material with a wide bandgap and large static dielectric polarizability coefficient: Na 6 Si 3 F 181A perspective on deep-ultraviolet nonlinear optical materials13A Universal Design Strategy Achieving Large Birefringence and Short Phase‐Matching Capability of Optical Materials via Dissimilating Non‐π‐Conjugated Units6MgPO2F3: An Ultraviolet Nonlinear Optical System with an Extremely Short Phase-Matching Wavelength Achieved by Introducing Dual-Type Fluorine via Structure Prediction1Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Design of a high-performance infrared birefringent crystal Ba 4 HgP 2 Se 10 via a low-dimensional motif intercalation strategy2β-LaTeBO 5 and RETeBO 5 (RE = Y, Gd, Tb): explorations of new optical materials in the RE( iii )–Te( iv )–B–O system7Accelerating Discovery of Infrared Nonlinear Optical Materials with High Lattice Thermal Conductivity: Combining Machine Learning and First‐Principles Calculations10K2PbB5P3O17: A Mixed-Coordinated Borophosphate with Enhanced Birefringence Driven by the [B2O5] Unit5Two-dimensional graphene-like BeO sheet: a promising deep-ultraviolet nonlinear optical material with strong and highly tunable second harmonic generation5Constructing Deep‐Ultraviolet Nonlinear Optical Crystals via Synergistic Combination of Fluorinated Polyhedra and Polymerized BO 3 Units15Cation-sulfur-driven dimensional reduction engineering for tailoring sulfonate birefringent crystals with enhanced anisotropy2Toward the vacuum-ultraviolet frontier in nonlinear optical frequency conversion: phase-matching mechanisms across dimensions and architectures2Prediction of deep-ultraviolet nonlinear optical material in borosilicate system: a case of RbSiB3O70

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  1. Enhancement of birefringence and refractive index dispersion optimization from iodates to fluorooxoiodates

    New Journal of Chemistry · 2023-01-01

    Shi‐Bin Wang, Jie Zhang, Jianbang Chen, Peng Han, Na Lei, Xuchu Huang

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  2. Linear π-conjugated units of the D ∞h point group as superior ultraviolet birefringent units

    Physical Chemistry Chemical Physics · 2023-01-01

    Rong Yang, Abudukadi Tudi, Yu Dang, Kewang Zhang, Hongsheng Shi

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  3. Fluorooxoborates: A precious treasure of deep-ultraviolet nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-02-03

    Hongkang Su, Ziting Yan, Xueling Hou, Min Zhang

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  4. CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap

    The Journal of Physical Chemistry C · 2023-03-22

    Evgenii Tikhonov, Huanhuan Cheng, Abudukadi Tudi, Congwei Xie, Shilie Pan, Zhihua Yang

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  5. Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence

    Angewandte Chemie International Edition · 2023-05-22

    Haotian Tian, Chensheng Lin, Yuqiao Zhou, Xin Lei Zhao, Huixin Fan, Tao Yan, Ning Ye, Min Luo

    Read original paper ↗ ·
  6. Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence

    Angewandte Chemie · 2023-05-22

    Haotian Tian, Chensheng Lin, Yuqiao Zhou, Xin Lei Zhao, Huixin Fan, Tao Yan, Ning Ye, Min Luo

    Read original paper ↗ ·
  7. Prediction of Promising Deep Ultraviolet Nonlinear Optical Materials in the Li 2 O–B 2 O 3 System

    Chemistry of Materials · 2023-05-27

    Yanting Wang, Evgenii Tikhonov, Haiyang Niu

    Read original paper ↗ ·
  8. Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains

    Inorganic Chemistry · 2023-06-12

    Ru‐Ling Tang, Lei Huai, Wenlong Liu

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  9. A prediction-driven database to enable rapid discovery of nonlinear optical materials

    Science China Materials · 2023-10-16

    Congwei Xie, Evgenii Tikhonov, Dongdong Chu, Mengfan Wu, Ivan A. Kruglov, Shilie Pan, Zhihua Yang

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  10. Vanadate Crystals with an Enhanced Birefringence and a Broadened Transparency Spectrum through Controlled [VO3]∞ Chain Arrangements and Alkali Metal Cation Introduction

    Inorganic Chemistry · 2023-11-24

    Jinlei Cheng, Die Xu, Juanjuan Lu, Feng Zhang, Xueling Hou

    Read original paper ↗ ·
  11. A deep-ultraviolet nonlinear-optical material with a wide bandgap and large static dielectric polarizability coefficient: Na 6 Si 3 F 18

    Materials Advances · 2024-01-01

    Changcheng Tang, Xingxing Jiang, Xiuyu Wu, Yuechen Gong, Chao Yang, Ruixin Guo, Panpan Wang, Yongming Huang, Dayu Zhou, H Chen, Zheshuai Lin

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  12. A perspective on deep-ultraviolet nonlinear optical materials

    Journal of Applied Physics · 2024-03-28

    Xu Liu, Zhihua Yang, Shilie Pan

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  13. A Universal Design Strategy Achieving Large Birefringence and Short Phase‐Matching Capability of Optical Materials via Dissimilating Non‐π‐Conjugated Units

    Advanced Optical Materials · 2024-04-18

    Huan Zhou, Shan Shu, Abudukadi Tudi, Wenqi Jin, Shilie Pan, Zhihua Yang

    Read original paper ↗ ·
  14. MgPO2F3: An Ultraviolet Nonlinear Optical System with an Extremely Short Phase-Matching Wavelength Achieved by Introducing Dual-Type Fluorine via Structure Prediction

    The Journal of Physical Chemistry C · 2024-11-26

    Xue Bai, Xin Su, Wenqi Jin

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  15. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

    Read original paper ↗ ·
  16. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

    Read original paper ↗ ·
  17. Design of a high-performance infrared birefringent crystal Ba 4 HgP 2 Se 10 via a low-dimensional motif intercalation strategy

    Dalton Transactions · 2025-01-01

    Zhihui Xiong, Haotian Tian, Zhixi Li, Guowei Deng, Fang Ding, Qian Wu, Mingjun Xia

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  18. β-LaTeBO 5 and RETeBO 5 (RE = Y, Gd, Tb): explorations of new optical materials in the RE( iii )–Te( iv )–B–O system

    Inorganic Chemistry Frontiers · 2025-01-01

    Pengfei Chen, Chun‐Li Hu, Ming‐Zhi Zhang, Jiang‐Gao Mao

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  19. Accelerating Discovery of Infrared Nonlinear Optical Materials with High Lattice Thermal Conductivity: Combining Machine Learning and First‐Principles Calculations

    Advanced Optical Materials · 2025-01-29

    Qing‐Yu Liu, Ran An, Chenxu Li, Dongdong Chu, Zhao Wang, Shilie Pan, Zhihua Yang

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  20. K2PbB5P3O17: A Mixed-Coordinated Borophosphate with Enhanced Birefringence Driven by the [B2O5] Unit

    Inorganic Chemistry · 2025-02-24

    Huanhuan Cheng, Meng Cheng, Abudukadi Tudi, Xueling Hou

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  21. Two-dimensional graphene-like BeO sheet: a promising deep-ultraviolet nonlinear optical material with strong and highly tunable second harmonic generation

    Science China Materials · 2025-11-06

    Linlin Liu, Congwei Xie, Abudukadi Tudi, Keith T. Butler, Zhihua Yang

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  22. Constructing Deep‐Ultraviolet Nonlinear Optical Crystals via Synergistic Combination of Fluorinated Polyhedra and Polymerized BO 3 Units

    Advanced Functional Materials · 2026-01-10

    Hongkang Su, chenxu li, Jiahao Jiao, Zhihua Yang, Shilie Pan, Min Zhang

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  23. Cation-sulfur-driven dimensional reduction engineering for tailoring sulfonate birefringent crystals with enhanced anisotropy

    Chinese Journal of Structural Chemistry · 2026-05-02

    Hanjing Huang, Longyun Xu, Wenli Zhao, Huijian Zhao, Xianghao Kong, Ning Ye, Zhanggui Hu, Conggang Li

    Read original paper ↗ ·
  24. Toward the vacuum-ultraviolet frontier in nonlinear optical frequency conversion: phase-matching mechanisms across dimensions and architectures

    Progress in Materials Science · 2026-07-09

    Zhihua Yang, Shilie Pan

    Read original paper ↗ ·
  25. Prediction of deep-ultraviolet nonlinear optical material in borosilicate system: a case of RbSiB3O7

    Science China Materials · 2026-07-10

    Xiaoyu Wu, Olga Reutova, Linlin Liu, Wenqi Jin, Abudukadi Tudi, Jidong Zhang, Congwei Xie, Zhihua Yang

    Read original paper ↗ ·