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RESEARCH PAPER · Advanced Materials · 2026

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

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

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Functional Unit Design of Deep‐UV NLO Crystals With Short Phase‐Matching and Large SHG ResponseOriginalComputational design of new DUV NLO fluorooxoborates with [BO 3 ] : [BO 3 F] = 2 : 1 via an anionic framework dimensionality-fixed strategy0Prediction of Mg–Zn binary intermetallics from first-principles calculations: stoichiometries, crystal structures, and mechanical and electronic properties0Two hydrated ionic cocrystals of phenylphosphonate exhibiting second-harmonic generation and proton conductivity0Geometric Dilution and Electronic Confinement: Origin and Design of Giant Optical Anisotropy in Crystals with Layered Features1Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives5Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives0Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates1From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals4Topological structural chemistry of fluorooxoborates: From fundamental building blocks to macroscopic optical performance regulation0Linear [ICl 2 ] Units Induced Giant Optical Anisotropy in AICl 2 (A = NH 4 , Rb): A Pathway to Advanced Birefringent Materials4Deep-Ultraviolet Transparent Zr/Hf Fluorides with Second-Harmonic Generation Effects Induced by Alkali-Metal Modulation2Design 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 architectures2Accelerating the Discovery of Deep-Ultraviolet Nonlinear Optical Materials by Combining Machine Learning Interatomic Potentials with First-Principles Calculations: A Case of LiB2O3F0Advances in metal selenite nonlinear optical materials: halogens directed structure modulation and property optimization0Multidimensional Cation Modulation toward Phase-Matchable Nonlinear Optical Fluorides with Short UV Cutoff Edges0The Parallel Coplanar Alignment of Planar Non‐π‐Conjugated [Pb 3 Br 3 ] Rings for a Stable Ultraviolet Nonlinear Optical Crystal0Cation-regulated orientational coherence in one-dimensional antimony fluoride selenate chains modulates ultraviolet second-Harmonic generation0Rational Construction of Fluoride Crystals With Record Birefringence via Water‐Regulated Hydrogen‐Bond Network Reconfiguration0Rational Construction of Fluoride Crystals With Record Birefringence via Water‐Regulated Hydrogen‐Bond Network Reconfiguration0Borophosphate-based second-order nonlinear optical materials: Advances in structural diversity and optical performance0Dual‐Role BF 3 Anchoring Enables Giant Birefringence in Short‐Wave UV‐Transparent Fluoroborates0

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22 direct citing papers saved.

  1. Computational design of new DUV NLO fluorooxoborates with [BO 3 ] : [BO 3 F] = 2 : 1 via an anionic framework dimensionality-fixed strategy

    Dalton Transactions · 2026-01-01

    Yajie Qi, Kewang Zhang, Xin Su, Abudukadi Tudi, Wenqi Jin, Congwei Xie

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  2. Prediction of Mg–Zn binary intermetallics from first-principles calculations: stoichiometries, crystal structures, and mechanical and electronic properties

    Canadian Journal of Physics · 2026-01-01

    Wenbo Lou, Dongyan Liu, Xuesi Li, Depeng Zhang, Hui Zhang

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  3. Two hydrated ionic cocrystals of phenylphosphonate exhibiting second-harmonic generation and proton conductivity

    Materials Chemistry Frontiers · 2026-01-01

    Peng Zhuang, Chun‐Li Hu, Bing‐Ping Yang, Jiang‐Gao Mao

    Read original paper ↗ ·

  4. 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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  5. Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives

    Angewandte Chemie International Edition · 2026-04-09

    Bohui Xu, Pifu Gong, Deshuai Xiao, Xuanlin Pan, Fan Liu, Xinyuan Zhang, Z. Sheng Z. Lin

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  6. Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives

    Angewandte Chemie · 2026-04-09

    Bohui Xu, Pifu Gong, Deshuai Xiao, Xuanlin Pan, Fan Liu, Xinyuan Zhang, Z. Sheng Z. Lin

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  7. Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

    Advanced Intelligent Discovery · 2026-04-21

    Wenhu Wang, Abudukadi Tudi, Ran An, Zhihua Yang

    Read original paper ↗ ·

  8. From Coplanarity to Coaxiality: A Linearity-Oriented Design Paradigm for Ultrahigh Ultraviolet Birefringent Inorganic Crystals

    Journal of the American Chemical Society · 2026-05-04

    Congcong Jin, Yang Li, Chong‐An Chen, Wei Zeng, S. D. Lee, Kang Min Ok

    Read original paper ↗ ·

  9. Topological structural chemistry of fluorooxoborates: From fundamental building blocks to macroscopic optical performance regulation

    Coordination Chemistry Reviews · 2026-05-20

    Wenqing Sun, Congwei Xie, Xueling Hou, Zhihua Yang, Shilie Pan

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  10. Linear [ICl 2 ] Units Induced Giant Optical Anisotropy in AICl 2 (A = NH 4 , Rb): A Pathway to Advanced Birefringent Materials

    Advanced Functional Materials · 2026-05-22

    Du Yinxia, C J Huang, Hongshan Wang, Linan Wang, Z Chen, Miriding Mutailipu, Shilie Pan, J F Li

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  11. Deep-Ultraviolet Transparent Zr/Hf Fluorides with Second-Harmonic Generation Effects Induced by Alkali-Metal Modulation

    Inorganic Chemistry · 2026-06-26

    Ling Wang, Mei Yan, Min Li, Zheng-Yu Yang, X X Li, Wenfeng Zhou, Ru‐Ling Tang

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  12. Design of deep-ultraviolet nonlinear optical BePNO2 guided by non-π-conjugated NLO-active unit

    Computational Materials Today · 2026-07-08

    Jiaxiang Li, Junwei Feng, Wenqi Jin, Qi Song, Congwei Xie, Yu Xie

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  13. 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

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  14. Accelerating the Discovery of Deep-Ultraviolet Nonlinear Optical Materials by Combining Machine Learning Interatomic Potentials with First-Principles Calculations: A Case of LiB2O3F

    Crystal Growth & Design · 2026-08-13

    Yifan Wang, Abudukadi Tudi, Wenqi Jin, Qi Song, Jiaxiang Li, YingXing Cheng, Congwei Xie, Zhihua Yang, Shilie Pan

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  15. Advances in metal selenite nonlinear optical materials: halogens directed structure modulation and property optimization

    Coordination Chemistry Reviews · 2026-08-14

    Dan-Dan Zhou, Tian-Tian He, Chun‐Li Hu, Jiang‐Gao Mao, Fang Kong

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  16. Multidimensional Cation Modulation toward Phase-Matchable Nonlinear Optical Fluorides with Short UV Cutoff Edges

    Inorganic Chemistry · 2026-08-22

    Ling Wang, Mei Yan, Bing-Wei Miao, Guo-Ren Zhu, Min Li, Wenfeng Zhou, Ru‐Ling Tang

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  17. The Parallel Coplanar Alignment of Planar Non‐π‐Conjugated [Pb 3 Br 3 ] Rings for a Stable Ultraviolet Nonlinear Optical Crystal

    Advanced Optical Materials · 2026-08-27

    Xiaofan Tong, Zuju Ma, Yulu Wu, Ruibiao Fu, Wenjing Yang, Jiacheng Chen, Qian Zeng

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  18. Cation-regulated orientational coherence in one-dimensional antimony fluoride selenate chains modulates ultraviolet second-Harmonic generation

    Chinese Chemical Letters · 2026-09-01

    Xiangyuan Li, Wei Liu, Xuehua Dong, Ling Huang, Liling Cao, Guohong Zou

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  19. Rational Construction of Fluoride Crystals With Record Birefringence via Water‐Regulated Hydrogen‐Bond Network Reconfiguration

    Angewandte Chemie · 2026-09-11

    Ru‐Ling Tang, Bing-Wei Miao, Ling Wang, Zheng-Yu Yang, Guo-Ren Zhu, Wenlong Liu, Sheng‐Ping Guo

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  20. Rational Construction of Fluoride Crystals With Record Birefringence via Water‐Regulated Hydrogen‐Bond Network Reconfiguration

    Angewandte Chemie International Edition · 2026-09-11

    Ru‐Ling Tang, Bing-Wei Miao, Ling Wang, Zheng-Yu Yang, Guo-Ren Zhu, Wenlong Liu, Sheng‐Ping Guo

    Read original paper ↗ ·

  21. Borophosphate-based second-order nonlinear optical materials: Advances in structural diversity and optical performance

    Coordination Chemistry Reviews · 2026-09-17

    Bo Zhao, Yaozu Li, Danyang Dou, Wenjing Zhang, Huiyi Zhang, Bingbing Zhang, Ying Wang

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  22. Dual‐Role BF 3 Anchoring Enables Giant Birefringence in Short‐Wave UV‐Transparent Fluoroborates

    Advanced Functional Materials · 2026-09-30

    Jin Chen, Jia‐Min Lian, Huai‐Yu Wu, Yun‐Xia Hu, Jinyu Luo, Yiru Fu, Cai‐Yi Liu, Ke‐Zhao Du

    Read original paper ↗ ·
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