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RESEARCH PAPER · 中国科学通报：英文版 · 2024

Covalently bonded fluorine optimizing deep-ultraviolet nonlinear optical performance of fluorooxoborates

Fuming Li, Wenqi Jin, Ran An, Miriding Mutailipu, Shilie Pan, Zhihua Yang

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Covalently bonded fluorine optimizing deep-ultraviolet nonlinear optical performance of fluorooxoboratesOriginalCsAlB 3 O 6 Cl: the rational construction of a KBBF-type structure with aligned 2 ∞ [AlB 3 O 6 Cl] layers via introducing unprecedented [AlO 3 Cl] tetrahedra5K 2 MgMoP 2 O 10 and K 3 Mg 2 MoP 3 O 14 : two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework4Shooting short-wavelength nonlinear optical materials with targeted balance performances in hydroxyborates through first-principles high-throughput screening4Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy31Fluorine-driven materials design of novel deep-ultraviolet nonlinear optical crystal materials: Research progress and challenges6Exploring physical characteristics of double perovskites Na2CuAsX6 (X = F, Cl, Br, and I) for solar energy harvesting and wasted heat recovery applications18From B 3 O 3 (OH) 3 to B 3 O 3 F 3 : Uncovering Series of New Functional Units Based on [BO 2 F] Beneficial for Deep‐Ultraviolet Birefringence1Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices1MgPO2F3: An Ultraviolet Nonlinear Optical System with an Extremely Short Phase-Matching Wavelength Achieved by Introducing Dual-Type Fluorine via Structure Prediction1The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO4 Units in Short-Wavelength Region14Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109Li3[AlP2O7F(OH)](H2O)0.5 and A[Al2(PO4)2F(H2O)](A = K, Rb): Counter Cation Templates Derived Three Polar Alkaline Metal Fluoroaluminophosphates6Anion ratio-directed design of CaB 4 O 5 F 4 and CaB 6 O 8 F 4 : [BO 3 ]/[BO 2 F 2 ] hybridization tailoring deep-ultraviolet nonlinear optical performance2Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses15Li 2 CeRbB 18 O 30 and Li 2 Cs 2 SrB 18 O 30 : promising low-birefringence materials for UV and deep UV zero-order waveplates4M 3 MoO 4 (HCO 3 ) (M = Rb and Cs): cation-tuned synthesis of two noncentrosymmetric molybdate-carbonates with isolated [MoO 4 ] and [HCO 3 ] groups0Na 2 PbB 6 O 10 SO 4 and Ca 2.58 Pb 0.42 B 6 O 11 SO 4 : first borate–sulfates featuring 3D porous borate anionic frameworks0BaFS: Birefringence Enhanced by the Transformation from Optical Isotropy to Anisotropy via Interlayer Anion Substitution8Highly Efficient Non-linear Optical Hexagonal Single-Crystal Bis(Diisopropylammonium) Molybdate (IPAM) for Terahertz Generation20Prediction of New Functional Fluorooxoborates with Expected Anionic Framework: A Case of CaB3O5F4Stacked dimer (C6H6F6)2 Janus based alkalides with ultraviolet transparency and remarkable NLO response1Na2MP3O9 (M = K, Rb): Two Potential Zero-Order Waveplate Materials with DUV Cutoff Edges2Rb 7 PbY 2 (B 5 O 10 ) 3 : A Noncentrosymmetric Rare-Earth Borate Nonlinear Optical Crystal with [B 5 O 10 ] Unit16Structural-disorder-induced enhancement of second-harmonic generation in bismuth-based perovskite-inspired materials7Metal Cation Engineered UV Birefringent Crystals in π‐Conjugated Sulfonates with Record‐High Optical Anisotropy17[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O0Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains22Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains8Reversal Enhancement of Birefringence by Stereochemically Active Lone Pairs in Sn(II)-Based Mixed Halides0Anion-Ordered [B3O5(OH)2] Induced by Crystal Water with Deep Ultraviolet Transparency and Large Birefringence in Boron-Rich Borophosphates4Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates20Origin of second harmonic generation in noncentrosymmetric crystal structures containing lone pair electrons5Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials5High‐Throughput Discovery of Large Birefringence Materials in Mixed‐N Hf‐O Systems0Novel [BO 2 ] superhalogen module-enabled deep-ultraviolet nonlinear optical material: rational design for tailored birefringence and phase matching0Navigating the Landscape of Next-Generation Nonlinear Optical Materials Discovery: Opportunities and Challenges Driven by Artificial Intelligence4Engineering the A-site cations in (Na/K/Rb) 3 InBr 6 halides for enhanced optoelectronic and thermoelectric performance in renewable energy devices3KTeOPO 4 and NH 4 SnClSO 4 : two new KTiOPO 4 derivatives as birefringent crystals featuring enhanced optical anisotropy0Targeted hydroxyl fluorination for first-principles design of deep-ultraviolet nonlinear optical crystals: multi-property optimization & chromatic dispersion modulation in Li 2 CsB 7 O 10 F 41Two scandium borate UV NLO crystals designed through chemical element substitution1Constructing Deep‐Ultraviolet Nonlinear Optical Crystals via Synergistic Combination of Fluorinated Polyhedra and Polymerized BO 3 Units15Functional Unit Design of Deep‐UV NLO Crystals With Short Phase‐Matching and Large SHG Response22Vacuum ultraviolet second-harmonic generation in NH4B4O6F crystal73Geometric Dilution and Electronic Confinement: Origin and Design of Giant Optical Anisotropy in Crystals with Layered Features1High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification6High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification2Third harmonic generation of chirped laser pulse in anharmonic clustered plasma enhanced by stimulated Raman scattering0Fluorination modulation theory for vacuum-ultraviolet nonlinear optical crystals (I): foundation and framework9Accelerated Discovery of Fluorophosphates as Deep‐Ultraviolet Nonlinear Optical Materials in the Y–P–O–F System: Unveiling New Composition‐Structure‐Property Rules1Design of deep-ultraviolet nonlinear optical BePNO2 guided by non-π-conjugated NLO-active unit0Toward the vacuum-ultraviolet frontier in nonlinear optical frequency conversion: phase-matching mechanisms across dimensions and architectures2Parallel arrangement of functional building blocks: toward performance synergy in oxalate borate ultraviolet nonlinear optical crystals0Potential Deep Ultraviolet Phosphate With Y‐Based: 1 [(PO 3 ) 4 ] ∞ Chains AYP 4 O 12 (A = K, NH 4 ) and the First [P 3 O 10 ] Anionic Framework KLiYP 3 O 100Fluorooxoborate crystal NH4B4O6F: a high-performance candidate for practical vacuum ultraviolet nonlinear optics0Fluorination‐Driven Molecular Polarization Engineering in Hydroxyfluorooxoborates for Generating Strong Short‐Wavelength Nonlinear Optical Responses0

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  1. CsAlB 3 O 6 Cl: the rational construction of a KBBF-type structure with aligned 2 ∞ [AlB 3 O 6 Cl] layers via introducing unprecedented [AlO 3 Cl] tetrahedra

    Chemical Communications · 2024-01-01

    Haoran Liu, Jiahao Jiao, Abudukadi Tudi, Qing‐Yu Liu, Zhihua Yang, Shilie Pan, Min Zhang

    Read original paper ↗ ·

  2. K 2 MgMoP 2 O 10 and K 3 Mg 2 MoP 3 O 14 : two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework

    Dalton Transactions · 2024-01-01

    Zhixia Gao, Qiuyuan Feng, Juanjuan Lu, Hong Lei Du

    Read original paper ↗ ·

  3. Shooting short-wavelength nonlinear optical materials with targeted balance performances in hydroxyborates through first-principles high-throughput screening

    Inorganic Chemistry Frontiers · 2024-01-01

    chenxu li, Abudukadi Tudi, Huanhuan Cheng, Qing‐Yu Liu, Zhihua Yang, Shilie Pan

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  4. Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy

    Journal of the American Chemical Society · 2024-05-31

    Aoge Yao, Fan Liu, Bohui Xu, Hao Huo, Zheshuai Lin, Lei Kang

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  5. Fluorine-driven materials design of novel deep-ultraviolet nonlinear optical crystal materials: Research progress and challenges

    Chinese Science Bulletin (Chinese Version) · 2024-07-01

    Zhihua Yang, Shilie Pan

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  6. Exploring physical characteristics of double perovskites Na2CuAsX6 (X = F, Cl, Br, and I) for solar energy harvesting and wasted heat recovery applications

    Materials Science and Engineering B · 2024-07-20

    Ahmad Ayyaz, Samah Saidi, Hafiz Irfan Ali, Afaf Khadr Alqorashi, Imen Kebaïli, Ali El‐Rayyes, Qasim Mahmood

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  7. From B 3 O 3 (OH) 3 to B 3 O 3 F 3 : Uncovering Series of New Functional Units Based on [BO 2 F] Beneficial for Deep‐Ultraviolet Birefringence

    European Journal of Inorganic Chemistry · 2024-10-04

    Kewang Zhang, Dongdong Chu, Juanjuan Lu, Zhihua Yang, Shilie Pan

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  8. Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices

    New Journal of Chemistry · 2024-11-20

    Changyou Liu, Xu Liu, Qiuyuan Feng, Ketian Hou, Bei Zhang, Juanjuan Lu

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  9. 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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  10. The New Paradigm of Ligand Substitution-Driven Enhancement of Anisotropy from SO4 Units in Short-Wavelength Region

    ACS Central Science · 2024-11-27

    Chenhui Hu, Huimin Li, Guangsheng Xu, Zhihua Yang, Jian Wei Han, Shilie Pan

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  11. Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective

    Advanced Functional Materials · 2024-12-15

    Miriding Mutailipu, Junjie Li, Shilie Pan

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  12. Li3[AlP2O7F(OH)](H2O)0.5 and A[Al2(PO4)2F(H2O)](A = K, Rb): Counter Cation Templates Derived Three Polar Alkaline Metal Fluoroaluminophosphates

    Inorganic Chemistry · 2024-12-17

    Yucheng Hao, Changlin Chen, Cheng Hou, S. Liu, Peng Zheng, Yuan Ching Lin, Haijian Li, Xi Zhao, Kisan Koirala, Hongdian Lu, Chonghai Deng, Kunhong Hu

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  13. Anion ratio-directed design of CaB 4 O 5 F 4 and CaB 6 O 8 F 4 : [BO 3 ]/[BO 2 F 2 ] hybridization tailoring deep-ultraviolet nonlinear optical performance

    Journal of Materials Chemistry C · 2025-01-01

    Ke Li, Abudukadi Tudi, Congwei Xie, Wenqi Jin, Linlin Liu, Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  14. Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses

    Chemical Communications · 2025-01-01

    Mengru Liu, Xianghao Kong, Shuaifeng Li, Ning Ye, Zhanggui Hu, Yicheng Wu, Conggang Li

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  15. Li 2 CeRbB 18 O 30 and Li 2 Cs 2 SrB 18 O 30 : promising low-birefringence materials for UV and deep UV zero-order waveplates

    Dalton Transactions · 2025-01-01

    Xiao-Ming Wang, Zhiyuan Zhang, Juanjuan Lu, Feng Zhang, Shilie Pan

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  16. M 3 MoO 4 (HCO 3 ) (M = Rb and Cs): cation-tuned synthesis of two noncentrosymmetric molybdate-carbonates with isolated [MoO 4 ] and [HCO 3 ] groups

    Journal of Materials Chemistry C · 2025-01-01

    Jianlong Huang, Wenhu Wang, JuanJuan Lu, Feng Yu

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  17. Na 2 PbB 6 O 10 SO 4 and Ca 2.58 Pb 0.42 B 6 O 11 SO 4 : first borate–sulfates featuring 3D porous borate anionic frameworks

    Inorganic Chemistry Frontiers · 2025-01-01

    Huan Pei, Zi‐Jian Li, Shaohuan Liu, Xueling Hou, Fangfang Zhang

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  18. BaFS: Birefringence Enhanced by the Transformation from Optical Isotropy to Anisotropy via Interlayer Anion Substitution

    Small · 2025-01-14

    Chao‐Hong Xie, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  19. Highly Efficient Non-linear Optical Hexagonal Single-Crystal Bis(Diisopropylammonium) Molybdate (IPAM) for Terahertz Generation

    Journal of Electronic Materials · 2025-01-21

    P. Vivek, M. Rekha, Ananth Steephen

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  20. Prediction of New Functional Fluorooxoborates with Expected Anionic Framework: A Case of CaB3O5F

    Chinese Physics Letters · 2025-02-24

    Ke-Wang Zhang, Wen-Qi 文琪 Jin 靳, Ke 珂 Li 李, Abudukadi Tudi, Linlin Liu, Congwei Xie, Yu Xie

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  21. Stacked dimer (C6H6F6)2 Janus based alkalides with ultraviolet transparency and remarkable NLO response

    Chemical Physics Impact · 2025-02-26

    Muhammad Sohaib, Sehrish Sarfaraz, Kaynat Akhtar, Imene Bayach, Nadeem S. Sheikh, Khurshid Ayub

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  22. Na2MP3O9 (M = K, Rb): Two Potential Zero-Order Waveplate Materials with DUV Cutoff Edges

    Inorganic Chemistry · 2025-03-04

    Huanhuan Zhao, Chenxu Li, Yi Huang, Qun Jing, Xuebin Yu, Zhaohui Chen

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  23. Rb 7 PbY 2 (B 5 O 10 ) 3 : A Noncentrosymmetric Rare-Earth Borate Nonlinear Optical Crystal with [B 5 O 10 ] Unit

    Inorganic Chemistry · 2025-03-14

    Xinyu Gao, Qing‐Yu Liu, Zhihua Yang, Jian Wei Han, Shilie Pan

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  24. Structural-disorder-induced enhancement of second-harmonic generation in bismuth-based perovskite-inspired materials

    Newton · 2025-03-29

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  25. Metal Cation Engineered UV Birefringent Crystals in π‐Conjugated Sulfonates with Record‐High Optical Anisotropy

    Small · 2025-04-07

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  26. [CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy

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  27. Symmetry Breaking via Anion-Molecule Synergy: Fluorine and Crystalline Water Directed Construction of Noncentrosymmetric Sr(IO2F2)2·2H2O

    Inorganic Chemistry · 2025-06-09

    Peng Jiang, Wenhu Wang, Juhui Cui, Ping Bai, Hongli Wu, Minqiang Gai

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  28. Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains

    Angewandte Chemie International Edition · 2025-07-01

    Congcong Jin, Yang Li, Jin Seong Kim, Joshua Lim, Hongbo Huang, Chong‐An Chen, Jihyun Lee, Yejin Heo, Bingbing Zhang, Joon Ik Jang, Kang Min Ok

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  29. Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains

    Angewandte Chemie · 2025-07-01

    Congcong Jin, Yang Li, Jin Seong Kim, Joshua Lim, Hongbo Huang, Chong‐An Chen, Jihyun Lee, Yejin Heo, Bingbing Zhang, Joon Ik Jang, Kang Min Ok

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  30. Reversal Enhancement of Birefringence by Stereochemically Active Lone Pairs in Sn(II)-Based Mixed Halides

    Crystal Growth & Design · 2025-07-11

    Xu Liu, Abudukadi Tudi, Junben Huang, Juanjuan Lu, Zhaofeng Wu

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  31. Anion-Ordered [B3O5(OH)2] Induced by Crystal Water with Deep Ultraviolet Transparency and Large Birefringence in Boron-Rich Borophosphates

    Chemistry of Materials · 2025-08-20

    Huanhuan Zhao, Chenxu Li, Zhihua Yang, Xueling Hou, Jian Wei Han, Shilie Pan

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  32. Promising UV/DUV nonlinear optical materials with X-membered (X = multiples of 6) rings in anhydrous inorganic borates

    Coordination Chemistry Reviews · 2025-08-26

    Bailin Chen, Shuai An, Xueling Hou, Shilie Pan

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  33. Origin of second harmonic generation in noncentrosymmetric crystal structures containing lone pair electrons

    Physical review. B./Physical review. B · 2025-09-22

    Fuming Li, Shilie Pan, Zhihua Yang

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  34. Symmetry‐Aware Equivariant Network for Discovering SHG‐Active Materials

    Advanced Functional Materials · 2025-11-20

    Liudmila A. Klimova, Ivan S. Trofimov, Wenqi Jin, Qi Song, Aleksey V. Arsenin, Congwei Xie, Ivan A. Kruglov, Valentyn S. Volkov

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  35. High‐Throughput Discovery of Large Birefringence Materials in Mixed‐N Hf‐O Systems

    European Journal of Inorganic Chemistry · 2025-12-11

    Wangfei Che, Tingwen Han, Evgenii Tikhonov, Abudukadi Tudi

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  36. Novel [BO 2 ] superhalogen module-enabled deep-ultraviolet nonlinear optical material: rational design for tailored birefringence and phase matching

    Journal of Materials Chemistry C · 2025-12-18

    Aqsa Munawar, Abudukadi Tudi, Ke Li, Changyou Liu, Zhihua Yang, Shilie Pan

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  37. Navigating the Landscape of Next-Generation Nonlinear Optical Materials Discovery: Opportunities and Challenges Driven by Artificial Intelligence

    Accounts of Materials Research · 2025-12-30

    Ran An, Dongdong Chu, Congwei Xie, Shilie Pan, Zhihua Yang

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  38. Engineering the A-site cations in (Na/K/Rb) 3 InBr 6 halides for enhanced optoelectronic and thermoelectric performance in renewable energy devices

    RSC Advances · 2026-01-01

    Hudabia Murtaza, Mohamed Ahmed Habib, Quratul Ain, Ahmed B. M. Ibrahim, Junaid Munir

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  39. KTeOPO 4 and NH 4 SnClSO 4 : two new KTiOPO 4 derivatives as birefringent crystals featuring enhanced optical anisotropy

    Journal of Materials Chemistry C · 2026-01-01

    Ruo-Nan Zhang, Xuping Shi, Abudukadi Tudi, Wenbin Zhang, Zhihua Yang, Fangfang Zhang, Shilie Pan, Shujuan Han

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  40. Targeted hydroxyl fluorination for first-principles design of deep-ultraviolet nonlinear optical crystals: multi-property optimization & chromatic dispersion modulation in Li 2 CsB 7 O 10 F 4

    Inorganic Chemistry Frontiers · 2026-01-01

    chenxu li, Haoran Wang, Min Zhang, Shilie Pan, Zhihua Yang

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  41. Two scandium borate UV NLO crystals designed through chemical element substitution

    Chemical Communications · 2026-01-01

    Zelong Liu, Huijian Zhao, Longyun Xu, Ning Jia, Ning Ye, Zhanggui Hu, Conggang Li

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  42. 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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  43. Functional Unit Design of Deep‐UV NLO Crystals With Short Phase‐Matching and Large SHG Response

    Advanced Materials · 2026-01-19

    Abudukadi Tudi, Meng Cheng, Congwei Xie, Shujuan Han, Shilie Pan, Zhihua Yang

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  44. Vacuum ultraviolet second-harmonic generation in NH4B4O6F crystal

    Nature · 2026-01-28

    F F Zhang, Zilong Chen, Chen Cui, Zhihua Yang, Miriding Mutailipu, Fuming M. Li, Xueling Hou, Xifa Long, Shilie Pan

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  45. Geometric Dilution and Electronic Confinement: Origin and Design of Giant Optical Anisotropy in Crystals with Layered Features

    Advanced Functional Materials · 2026-03-27

    Xu Liu, Junben Huang, Jun Sun, Abudukadi Tudi, Ping Hu, Ailijiang Abudurusuli, Zhihua Yang, Zhaofeng Wu

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  46. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie International Edition · 2026-04-24

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  47. High‐Performance Infrared Nonlinear Optical Crystals Discovery Guided by High‐Throughput Computation, Machine Learning, and Experimental Verification

    Angewandte Chemie · 2026-04-24

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  48. Third harmonic generation of chirped laser pulse in anharmonic clustered plasma enhanced by stimulated Raman scattering

    Modern Physics Letters B · 2026-05-08

    Shivani Vij, Oriza Kamboj, Arvinder Singh

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  49. Fluorination modulation theory for vacuum-ultraviolet nonlinear optical crystals (I): foundation and framework

    National Science Review · 2026-05-16

    Zhihua Yang, Abudukadi Tudi, Min Zhang, Miriding Mutailipu, Fangfang Zhang, Shilie Pan

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  50. Accelerated Discovery of Fluorophosphates as Deep‐Ultraviolet Nonlinear Optical Materials in the Y–P–O–F System: Unveiling New Composition‐Structure‐Property Rules

    Laser & Photonics Review · 2026-05-19

    Wenqi Jin, Congwei Xie, Ran An, Shilie Pan, Zhihua Yang

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