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RESEARCH PAPER · Angewandte Chemie International Edition · 2019

Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction

Lei Kang, Xinyuan Zhang, Fei Liang, Zheshuai Lin, Bing Qiang Huang

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Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles PredictionOriginalLiMg(IO 3 ) 3 : an excellent SHG material designed by single-site aliovalent substitution68LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO398LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO337Ag4Hg(SeO3)2(SeO4): a novel SHG material created in mixed valent selenium oxides by in situ synthesis36Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles13Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response34Two Covalent Ultraviolet Nonlinear Optical Crystals3Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles29Periodic B- and N-doped phenalenyl π-aggregates: unexpected nonlinear optical properties by tuning pancake π–π bonding6Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study17Phosphates branching effect on the structure, linear and NLO properties of linear phosphazenes56Deep‐Ultraviolet Nonlinear‐Optical van‐der‐Waals Beryllium Borates**6Sr2Pb(BeB5O10)(BO3): An Excellent Ultraviolet Nonlinear-Optical Beryllium Borate by the Pb-Modified Construction of a Conjugated System and Lone-Pair Effect14The application and development of the first principles calculation in nonlinear optical materials1Novel van der Waals Deep‐UV Nonlinear Optical Materials3Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response29Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Clamping effect driven design and fabrication of new infrared birefringent materials with large optical anisotropy45The Strategy to Improve the Phase Matching Ability in Tetrahedron‐Based Deep‐Ultraviolet Nonlinear Optical Crystals211D Van der Waals Polymers with Nonlinear Optical Performance Approaching Theoretical Upper Limit21Nitride Wide-Bandgap Semiconductors for UV Nonlinear Optics3Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides21Wide-Band Gap Binary Semiconductor P3N5 with Highly Anisotropic Optical Linearity and Nonlinearity3A perspective on deep-ultraviolet nonlinear optical materials13Unbiased screening of deep-ultraviolet and mid-infrared nonlinear optical crystals: Long-neglected covalent and mixed-cation motifs91D Crystalline Assemblies Exhibiting Large Second Harmonic Generation Susceptibilities and Stacking‐/Polarization‐Driven Tunability8Functional assembly and modification of nonlinear optical fundamental motifs in phosphates27层状结构深紫外非线性光学晶体研究进展（特邀）2Hydrogen‐Bond‐Directed Modular Assembly of Polar Chains for Rational Construction of UV Nonlinear Optical Crystals14Hydrogen‐Bond‐Directed Modular Assembly of Polar Chains for Rational Construction of UV Nonlinear Optical Crystals3Band gap independent intrinsic nonlinear optical response for rational materials design2Design of deep-ultraviolet nonlinear optical BePNO2 guided by non-π-conjugated NLO-active unit0The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1

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  1. LiMg(IO 3 ) 3 : an excellent SHG material designed by single-site aliovalent substitution

    Chemical Science · 2019-01-01

    Jin Chen, Chun‐Li Hu, Fei‐Fei Mao, Xiaohan Zhang, Bing‐Ping Yang, Jiang‐Gao Mao

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  2. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

    Angewandte Chemie International Edition · 2019-09-20

    Ying‐Jie Jia, Yi-Gang Chen, Yao Guo, Xiao‐Fang Guan, Chengbo Li, Bingxuan Li, Minmin Liu, Xian‐Ming Zhang

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  3. LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO3

    Angewandte Chemie · 2019-09-20

    Ying‐Jie Jia, Yi-Gang Chen, Yao Guo, Xiao‐Fang Guan, Chengbo Li, Bingxuan Li, Min‐Min Liu, Xian‐Ming Zhang

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  4. Ag4Hg(SeO3)2(SeO4): a novel SHG material created in mixed valent selenium oxides by in situ synthesis

    Science China Materials · 2019-10-22

    Xiaoxue Wang, Xiaobao Li, Chun‐Li Hu, Fang Kong, Jiang‐Gao Mao

    Read original paper ↗ ·

  5. Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles

    Dalton Transactions · 2020-01-01

    Zhonglei Wei, Wenyao Zhang, Hao Zeng, Hao Li, Zhihua Yang, Shilie Pan

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  6. Insight into the Expanded Mislinked Porphyrins with High Second Order Nonlinear Optical Response

    The Journal of Physical Chemistry A · 2020-01-23

    Bo Li, Palanivel Sathishkumar, Feng Long Gu, Chaoyuan Zhu

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  7. Two Covalent Ultraviolet Nonlinear Optical Crystals

    Chemistry - An Asian Journal · 2020-02-14

    Shuai Liu, Gaomin Song, Qingran Ding, Yanqiang Li, Lina Li, Qian Zhang, Yonggang Wang, Zheshuai Lin, Junhua Luo, Sangen Zhao

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  8. Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles

    arXiv (Cornell University) · 2020-12-14

    Lei Kang, Pifu Gong, Zheshuai Lin, Bing Qiang Huang

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  9. Periodic B- and N-doped phenalenyl π-aggregates: unexpected nonlinear optical properties by tuning pancake π–π bonding

    Physical Chemistry Chemical Physics · 2021-01-01

    Fengwei Gao, Shibin Li, Hong‐Liang Xu, Zhong-Min Su

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  10. Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study

    Physical Chemistry Chemical Physics · 2021-01-01

    Bo Li, Palanivel Sathishkumar, Feng Long Gu

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  11. Phosphates branching effect on the structure, linear and NLO properties of linear phosphazenes

    Materials Chemistry and Physics · 2021-01-18

    Djebar Hadji

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  12. Deep‐Ultraviolet Nonlinear‐Optical van‐der‐Waals Beryllium Borates**

    Angewandte Chemie · 2021-05-19

    Lei Kang, Pifu Gong, Zheshuai Lin, Bing Qiang Huang

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  13. Sr2Pb(BeB5O10)(BO3): An Excellent Ultraviolet Nonlinear-Optical Beryllium Borate by the Pb-Modified Construction of a Conjugated System and Lone-Pair Effect

    Inorganic Chemistry · 2021-06-18

    Zhe Dai, Yi-Gang Chen, Yao Guo, Fang Wang, Yuanyu Yang, Xian‐Ming Zhang

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  14. The application and development of the first principles calculation in nonlinear optical materials

    Scientia Sinica Chimica · 2021-08-05

    Bingbing Zhang, Kui Wu, Ying Wang, Daqing Yang

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  15. Novel van der Waals Deep‐UV Nonlinear Optical Materials

    Chemistry - A European Journal · 2021-09-10

    Lei Kang, Zheshuai Lin

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  16. Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials

    Chemistry of Materials · 2021-12-29

    Weiqi Huang, Sangen Zhao, Junhua Luo

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  17. Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs

    Crystal Growth & Design · 2022-01-18

    Junben Huang, Shan Shu, Gemei Cai

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  18. One-Side Capping in Two-Dimensional WO 3 -Type Materials Leading to Strong Second-Harmonic Response

    Chemistry of Materials · 2022-03-29

    Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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

    Light Science & Applications · 2022-07-01

    Lei Kang, Zheshuai Lin

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  20. Clamping effect driven design and fabrication of new infrared birefringent materials with large optical anisotropy

    Science China Chemistry · 2023-03-13

    Linan Wang, Chenchen Tu, Hongbo Gao, Jiazheng Zhou, Hongshan Wang, Zhihua Yang, Shilie Pan, Junjie Li

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  21. The Strategy to Improve the Phase Matching Ability in Tetrahedron‐Based Deep‐Ultraviolet Nonlinear Optical Crystals

    Advanced Optical Materials · 2023-07-09

    Hongyuan Sha, Yanran Shang, Zujian Wang, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long

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  22. 1D Van der Waals Polymers with Nonlinear Optical Performance Approaching Theoretical Upper Limit

    Advanced Functional Materials · 2023-07-14

    Jingyu Yang, Jun Deng, Jinbo Pan, Yongqian Zhu, Yan‐Fang Zhang, Yuhui Li, Jia‐Tao Sun, Shixuan Du

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  23. Nitride Wide-Bandgap Semiconductors for UV Nonlinear Optics

    Crystals · 2023-10-26

    Shihang Li, Lei Kang

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  24. Dual-Anion Strategy Induces Dual Enhancement Toward Ultrashort Phase-Matching Wavelength in Deep-UV Transparent d0 Transition Metal Oxyfluorides

    ACS Materials Letters · 2024-02-23

    Dongdong Chu, Kewang Zhang, Congwei Xie, Keith T. Butler, Zhihua Yang, Shilie Pan

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  25. Wide-Band Gap Binary Semiconductor P3N5 with Highly Anisotropic Optical Linearity and Nonlinearity

    Inorganic Chemistry · 2024-03-08

    Shihang Li, Xiaolan Yan, Zheshuai Lin, Lei Kang

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  26. 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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  27. Unbiased screening of deep-ultraviolet and mid-infrared nonlinear optical crystals: Long-neglected covalent and mixed-cation motifs

    Physical Review Materials · 2024-08-19

    Jizhang Wang, Meng Ye, Xiaomi Guo, Yang Li, Nianlong Zou, He Li, Zetao Zhang, Sibo Zhao, Zhiming Xu, Haowei Chen, Dezhao Wu, Ting Bao, Yong Mao Xu, Wenhui Duan

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  28. 1D Crystalline Assemblies Exhibiting Large Second Harmonic Generation Susceptibilities and Stacking‐/Polarization‐Driven Tunability

    Advanced Functional Materials · 2024-11-19

    Jingyu Yang, Jinbo Pan, Yan‐Fang Zhang, Guolin Wan, Yongqian Zhu, Zixuan Wei, Yuhui Li, Shixuan Du

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  29. Functional assembly and modification of nonlinear optical fundamental motifs in phosphates

    Coordination Chemistry Reviews · 2024-11-27

    Fan Liu, Pifu Gong, Zheshuai Lin, Lei Kang

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  30. 层状结构深紫外非线性光学晶体研究进展（特邀）

    Chinese Journal of Lasers · 2025-01-01

    彭广 Peng Guang, 韩言鸣 Han Yanming, 叶宁 Ye Ning

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  31. Hydrogen‐Bond‐Directed Modular Assembly of Polar Chains for Rational Construction of UV Nonlinear Optical Crystals

    Angewandte Chemie International Edition · 2025-08-10

    Lingli Wu, Chensheng Lin, Huixin Fan, Shunda Yang, Tao Yan, Yunxia Song, Min Luo

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  32. Hydrogen‐Bond‐Directed Modular Assembly of Polar Chains for Rational Construction of UV Nonlinear Optical Crystals

    Angewandte Chemie · 2025-08-10

    Lingli Wu, Chensheng Lin, Huixin Fan, Shunda Yang, Tao Yan, Yunxia Song, Min Luo

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  33. Band gap independent intrinsic nonlinear optical response for rational materials design

    Physical review. B./Physical review. B · 2025-11-19

    Xuanlin Pan, Bonan Zhu, Aoge Yao, Zheshuai Lin, Lei Kang

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  34. 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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  35. The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals

    Angewandte Chemie International Edition · 2026-09-10

    Xiangqing Cao, Haotian Qiu, Juanjuan Lu, Yun Mo Yang, Xueling Hou, Junjie Li, Shilie Pan, Miriding Mutailipu

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