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RESEARCH PAPER · Inorganic Chemistry · 2018

Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability

Lei Kang, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical CapabilityOriginalCyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect24Prediction of MCO [M = S, (Cl2B)3B] Systems with Giant Optical Birefringence and Nonlinearity in the Deep-Ultraviolet Region9Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27SnGa 2 GeSe 6 , a benign addition to the AMIII2M IV Q 6 family: synthesis, crystal structure and nonlinear optical performance20BeO6 Trigonal Prism with Ultralong Be–O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O2712Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin(II) Phosphate BaSn 2 (PO 4 ) 2130Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties24Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction35Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction14Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer9First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 483Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Alkali-earth metal lead( ii ) oxyhalide Ba 27 Pb 8 O 8 Cl 54 exhibiting interesting [Pb 4 Ba 4 O 4 ] 8+ species8Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles13Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45Concepts for direct frequency-comb spectroscopy of 229mTh and an internal-conversion-based solid-state nuclear clock39The second-order NLO property of a photoswitchable heteroditpioc ion-pair receptor based on 2-pyridyl acylhydrazone linking with 2,6-pyridine bisamide: The impacts of metal cations and anions3The $^{229}$Th isomer: prospects for a nuclear optical clock55Borates: A Rich Source for Optical Materials1089Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles29NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers10Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance43Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance6The thorium-229 low-energy isomer and the nuclear clock123Deep‐Ultraviolet Nonlinear‐Optical van‐der‐Waals Beryllium Borates**6LiB2O3F: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Designed Based on a Boron-Rich Strategy61Sr2Pb(BeB5O10)(BO3): An Excellent Ultraviolet Nonlinear-Optical Beryllium Borate by the Pb-Modified Construction of a Conjugated System and Lone-Pair Effect14Novel van der Waals Deep‐UV Nonlinear Optical Materials3A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**175A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**27Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material18Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Decentering the Symmetry via Docking B and F in the KBe2BO3F2-Family Structure0Prediction of Promising Deep Ultraviolet Nonlinear Optical Materials in the Li 2 O–B 2 O 3 System7Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]80A perspective on deep-ultraviolet nonlinear optical materials13Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13Study of Cleavage Fracture Strength of Cation-Tuned Yttrium Calcium Oxyborate Crystals0Design and Synthesis of a Rare Earth Borate Ultraviolet Nonlinear Optical Crystal K 3 Lu 2 (BO 3 ) 38Cation regulation achieves symmetry breaking: from centrosymmetric M 2 Cs 2 B 10 O 17 (M = Na, K) to noncentrosymmetric Na 3 CsB 10 O 172Novel [BO 2 ] superhalogen module-enabled deep-ultraviolet nonlinear optical material: rational design for tailored birefringence and phase matching0Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives5Cation‐Dominated Second‐Order Nonlinear Optical Response Enabled by π‐Conjugated Guanidinium Derivatives0

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  1. Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect

    Inorganic Chemistry · 2018-11-13

    Lei Kang, Fei Liang, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  2. Prediction of MCO [M = S, (Cl2B)3B] Systems with Giant Optical Birefringence and Nonlinearity in the Deep-Ultraviolet Region

    Inorganic Chemistry · 2018-12-20

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

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  3. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

    Acta Physica Sinica · 2019-01-01

    Minqiang Gai, Ying Wang, Shilie Pan

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  4. SnGa 2 GeSe 6 , a benign addition to the AMIII2M IV Q 6 family: synthesis, crystal structure and nonlinear optical performance

    Dalton Transactions · 2019-01-01

    Zhuang Li, Shengzi Zhang, Yangwu Guo, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  5. BeO6 Trigonal Prism with Ultralong Be–O Bonds Observed in a Deep Ultraviolet Optical Crystal Li13BeBe6B9O27

    Inorganic Chemistry · 2019-01-22

    Yi-Gang Chen, Meiling Xing, Yao Guo, Zheshuai Lin, Xiujun Fan, Xian‐Ming Zhang

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  6. Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin(II) Phosphate BaSn 2 (PO 4 ) 2

    Chemistry - A European Journal · 2019-02-11

    Yi Jin Yang, Yi Qiu, Pifu Gong, Lei Kang, Gaomin Song, Xiaomeng Liu, Junliang Sun, Zheshuai Lin

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  7. Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties

    Inorganic Chemistry · 2019-02-13

    Qi Wei, Chao He, Bang‐Di Ge, Meng-Xin Wan, Li Wei, Guo‐Ming Wang

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

    Angewandte Chemie International Edition · 2019-06-03

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

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

    Angewandte Chemie · 2019-06-03

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

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  10. Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer

    Dalton Transactions · 2019-08-19

    Zhuang Li, Shengzi Zhang, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  11. First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals

    Accounts of Chemical Research · 2019-10-29

    Lei Kang, Fei Liang, Xingxing Jiang, Zheshuai Lin, Chuangtian Chen

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  12. KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 4

    Chemistry of Materials · 2019-11-01

    Zhiyong Bai, Chun‐Li Hu, Lehui Liu, Lizhen Zhang, Yisheng Huang, Feifei Yuan, Zhoubin Lin

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  13. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

    Angewandte Chemie International Edition · 2019-12-10

    Miriding Mutailipu, Shilie Pan

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  14. Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich

    Angewandte Chemie · 2019-12-10

    Miriding Mutailipu, Shilie Pan

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  15. Alkali-earth metal lead( ii ) oxyhalide Ba 27 Pb 8 O 8 Cl 54 exhibiting interesting [Pb 4 Ba 4 O 4 ] 8+ species

    New Journal of Chemistry · 2019-12-26

    Zhuang Li, Xingxing Jiang, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  16. 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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  17. Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles

    Science China Materials · 2020-06-04

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

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  18. Concepts for direct frequency-comb spectroscopy of 229mTh and an internal-conversion-based solid-state nuclear clock

    The European Physical Journal D · 2020-07-01

    Lars von der Wense, Chuankun Zhang

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  19. The second-order NLO property of a photoswitchable heteroditpioc ion-pair receptor based on 2-pyridyl acylhydrazone linking with 2,6-pyridine bisamide: The impacts of metal cations and anions

    Journal of Molecular Graphics and Modelling · 2020-07-08

    Yao Yao, Yuan Zhang, Xiang Li, Yong‐Qing Qiu

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  20. The $$^{229}$$Th isomer: prospects for a nuclear optical clock

    The European Physical Journal A · 2020-11-01

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  21. Borates: A Rich Source for Optical Materials

    Chemical Reviews · 2020-12-14

    Miriding Mutailipu, Kenneth Reinhard Poeppelmeier, Shilie Pan

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  22. 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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  23. NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers

    New Journal of Chemistry · 2021-01-01

    Zilong Chen, Junwei Feng, Bin Dai, Feng Yu

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  24. Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance

    Angewandte Chemie International Edition · 2021-02-25

    Hao Li, Jingmei Min, Zhihua Yang, Zhenhai Wang, Shilie Pan, Артем Ромаевич Оганов

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  25. Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance

    Angewandte Chemie · 2021-02-25

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  26. The thorium-229 low-energy isomer and the nuclear clock

    Nature Reviews Physics · 2021-02-25

    Kjeld Beeks, Tomáš Šikorský, Thorsten Schumm, Johannes Thielking, Maksim V. Okhapkin, E. Peik

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

    Angewandte Chemie · 2021-05-19

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  28. LiB2O3F: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Designed Based on a Boron-Rich Strategy

    Chemistry of Materials · 2021-06-14

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

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

    Chemistry - A European Journal · 2021-09-10

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  31. A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**

    Angewandte Chemie International Edition · 2021-09-16

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  32. A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**

    Angewandte Chemie · 2021-09-17

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  33. Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material

    Inorganic Chemistry · 2022-05-02

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

    Light Science & Applications · 2022-07-01

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  35. Decentering the Symmetry via Docking B and F in the KBe2BO3F2-Family Structure

    Inorganic Chemistry · 2022-10-25

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  36. Prediction of Promising Deep Ultraviolet Nonlinear Optical Materials in the Li 2 O–B 2 O 3 System

    Chemistry of Materials · 2023-05-27

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  37. Toward the ultraviolet (UV) or deep-UV nonlinear optical crystals: The combination of π-conjugated planar [XY3] and tetrahedral [XY4]

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  38. A perspective on deep-ultraviolet nonlinear optical materials

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

    Advanced Functional Materials · 2024-12-15

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  40. Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships

    Coordination Chemistry Reviews · 2025-04-06

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  41. Study of Cleavage Fracture Strength of Cation-Tuned Yttrium Calcium Oxyborate Crystals

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  42. Design and Synthesis of a Rare Earth Borate Ultraviolet Nonlinear Optical Crystal K 3 Lu 2 (BO 3 ) 3

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  43. Cation regulation achieves symmetry breaking: from centrosymmetric M 2 Cs 2 B 10 O 17 (M = Na, K) to noncentrosymmetric Na 3 CsB 10 O 17

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

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

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

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