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RESEARCH PAPER · Materials Chemistry Frontiers · 2021

Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials

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Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materialsOriginalEnhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning9Two deep-ultraviolet nonlinear optical monolayers obtained by a template-optimized design strategy2Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification89Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification9A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency15A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency96Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)6CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy28Hg 2 (SeO 3 )(SO 4 ): the first sulfate selenite with large birefringence explored from d 10 transition metal compounds36LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence16Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33Two porous-layered borates built by B 7 O 13 (OH) clusters and AlO 4 /GaO 4 tetrahedra7Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis19Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114Design of a low-cost photonic crystal diode for data processing applications in photonic circuits0NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge5Design of novel deep-UV nonlinear optical materials with one-dimensional functional module [BO2]∞ chain and fluorine-driven short phase-matching43Design of deep-ultraviolet nonlinear optical materials based on fundamental building blocks with excellent microscopic properties1Enhancement of birefringence and refractive index dispersion optimization from iodates to fluorooxoiodates1Li2AB5O8F2 (A = Na and K): two new deep-ultraviolet transparent fluorooxoborates with moderate birefringence designed by targeted dimensional modulation7Nitrides: a promising class of nonlinear optical material candidates9Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification28Organic Kainate Single Crystals for Second-Harmonic and Broadband THz Generation24Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains5From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials6Fluorine-driven materials design of novel deep-ultraviolet nonlinear optical crystal materials: Research progress and challenges6Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66A Machine-Learning-Assisted Crystalline Structure Prediction Framework To Accelerate Materials Discovery19A3Sc(SO4)3 (A = K, Rb, Cs): Three Deep‐Ultraviolet Transparent Alkali‐Scandium Sulfates with Strong Second‐Harmonic Generation Response and High Thermal Stability14MgPO2F3: 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 Materials14Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17Accelerating Discovery of Infrared Nonlinear Optical Materials with High Lattice Thermal Conductivity: Combining Machine Learning and First‐Principles Calculations10Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors1Designing a 3‐Hydroxypropane‐1‐Sulfonate Deep‐Ultraviolet Nonlinear Optical Crystal9Non-equivalent terminating roles of hydroxyl and fluorine in hydroxy/fluorooxo-borate optical functional materials2Unlocking Advanced UV NLO Crystals in Rare‐Earth Metal Borate Fluorides via [B 3 O 6 ]‐Mediated Structural Modulation18

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  1. Enhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning

    Materials Chemistry Frontiers · 2021-01-01

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  2. Two deep-ultraviolet nonlinear optical monolayers obtained by a template-optimized design strategy

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  3. Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification

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  4. Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification

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  5. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  6. A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency

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  7. Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)

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  8. CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy

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  9. Hg 2 (SeO 3 )(SO 4 ): the first sulfate selenite with large birefringence explored from d 10 transition metal compounds

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  10. LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence

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  11. Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate

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  12. Two porous-layered borates built by B 7 O 13 (OH) clusters and AlO 4 /GaO 4 tetrahedra

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    Yazhuo Dong, Chong‐An Chen, Juan Chen, Jian‐Wen Cheng, Jinhua Li, Guo‐Yu Yang

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  13. Physical‐organic aspects along with linear and nonlinear optical properties of benzene sulfonamide compounds: In silico analysis

    Journal of Physical Organic Chemistry · 2022-01-19

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  14. Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery

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  15. A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications

    Coordination Chemistry Reviews · 2022-07-19

    Hong Chen, Mao‐Yin Ran, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  16. Design of a low-cost photonic crystal diode for data processing applications in photonic circuits

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  17. NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge

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  18. Design of novel deep-UV nonlinear optical materials with one-dimensional functional module [BO2]∞ chain and fluorine-driven short phase-matching

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  19. Design of deep-ultraviolet nonlinear optical materials based on fundamental building blocks with excellent microscopic properties

    New Journal of Chemistry · 2022-12-22

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  20. 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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  21. Li2AB5O8F2 (A = Na and K): two new deep-ultraviolet transparent fluorooxoborates with moderate birefringence designed by targeted dimensional modulation

    Materials Today Chemistry · 2023-01-01

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  22. Nitrides: a promising class of nonlinear optical material candidates

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  23. Recent progress in borate-based short-wavelength nonlinear optical crystals with boron–oxygen skeleton modification

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  24. Organic Kainate Single Crystals for Second-Harmonic and Broadband THz Generation

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  25. Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization

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  26. Na4[B6O9 (OH)3](H2O) Cl: A Deep-Ultraviolet Transparent Nonlinear Optical Borate Chloride with {[B6O9 (OH)3]3–}∞ Chains

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  27. From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength

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  28. Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials

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

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  30. Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units

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