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RESEARCH PAPER · Physical review. B./Physical review. B · 2020

Layered oxide B2S2O9 with a deep-ultraviolet band gap and a strong and robust second-harmonic generation

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

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Layered oxide B2S2O9 with a deep-ultraviolet band gap and a strong and robust second-harmonic generationOriginalPredicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles29Two deep-ultraviolet nonlinear optical monolayers obtained by a template-optimized design strategy2Prediction 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 Performance6A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations71A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations13Toward the Enhancement of Critical Performance for Deep-Ultraviolet Frequency-Doubling Crystals Utilizing Covalent Tetrahedra137Deep‐Ultraviolet Nonlinear‐Optical van‐der‐Waals Beryllium Borates**6Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response130Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response8Eckenverknüpfung von drei (BO4)‐Tetraedern in einem Borosulfat: Synthese, Kristallstruktur und quantenchemische Untersuchung von Sr[B3O(SO4)4(SO4H)]6Triple‐Vertex Linkage of (BO4)‐Tetrahedra in a Borosulfate: Synthesis, Crystal Structure, and Quantum‐Chemical Investigation of Sr[B3O(SO4)4(SO4H)]13Novel van der Waals Deep‐UV Nonlinear Optical Materials3Role of interlayer coupling in second harmonic generation in bilayer transition metal dichalcogenides23Sliding Modulation in Nonlinear Optical Effect in Two-Dimensional van der Waals Cu2MoS413Polycations Stabilised by Borosulfates: [Au3Cl4][B(S2O7)2] and the One‐Dimensional Metal [Au2Cl4][B(S2O7)2](SO3)8Defect engineering of second-harmonic generation in nonlinear optical semiconductors18Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe 2 BO 3 F 2 -like structure and disordered cations2Internal electric field enhanced photoelectrochemical water splitting in direct Z-scheme GeC/HfS2 heterostructure: A first-principles study47A promising van der Waals two-dimensional nonlinear optical crystal NbOCl₂ for ultrathin quantum light source2The Strategy to Improve the Phase Matching Ability in Tetrahedron‐Based Deep‐Ultraviolet Nonlinear Optical Crystals21Toward Sustainable Ultrawide Bandgap van der Waals Materials: An ab initio Screening Effort52Robust Type‐II Band Alignment and Stacking‐Controlling Second Harmonic Generation in GaN/ZnO vdW Heterostructure17A Sharp Improvement of Sulfate's Birefringence Induced by the Synergistic Effect of Heteroleptic and Dimeric Strategies14Theoretical Understanding of Nonlinear Optical Properties in Solids: A Perspective27Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering61Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering4Pd[B(S 2 O 7 ) 2 ] 2 and Pd[B(SO 4 ) (S 2 O 7 )] 2 : Two Borosulfates with Pd 2+ in Octahedral and One with Pd 2+ in Square Planar Oxygen Coordination2Chirality-Dependent Orbital Bulk Photovoltaic Effect in a 1D Helical Nanowire3Variability of a Non‐Centrosymmetric Tecto‐Borosulfate: Introduction of Various Molecular Cations into BiX[B(SO 4 ) 2 ] 4 (X = H 3 O + , NO 2 + , NH 4 + , NO + )5Two-dimensional graphene-like BeO sheet: a promising deep-ultraviolet nonlinear optical material with strong and highly tunable second harmonic generation5Band gap independent intrinsic nonlinear optical response for rational materials design2

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  1. 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

    Read original paper ↗ ·

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

    Inorganic Chemistry Frontiers · 2021-01-01

    Abudukadi Tudi, Shujuan Han, Zhihua Yang, Shilie Pan

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

    Angewandte Chemie · 2021-02-25

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

    Read original paper ↗ ·

  5. A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations

    Angewandte Chemie International Edition · 2021-03-09

    Yanqiang Li, Zhengyang Zhou, Sangen Zhao, Fei Liang, Qingran Ding, Junliang Sun, Zheshuai Lin, Maochun Hong, Junhua Luo

    Read original paper ↗ ·

  6. A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations

    Angewandte Chemie · 2021-03-09

    Yanqiang Li, Zhengyang Zhou, Sangen Zhao, Fei Liang, Qingran Ding, Junliang Sun, Zheshuai Lin, Maochun Hong, Junhua Luo

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  7. Toward the Enhancement of Critical Performance for Deep-Ultraviolet Frequency-Doubling Crystals Utilizing Covalent Tetrahedra

    Accounts of Materials Research · 2021-03-25

    Miriding Mutailipu, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

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

    Angewandte Chemie · 2021-05-19

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

    Read original paper ↗ ·

  9. Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response

    Angewandte Chemie International Edition · 2021-05-26

    Guang Peng, Chensheng Lin, Huixin Fan, Kaichuang Chen, Bingxuan Li, Ge Zhang, Ning Ye

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  10. Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response

    Angewandte Chemie · 2021-05-26

    Guang Peng, Chensheng Lin, Huixin Fan, Kaichuang Chen, Bingxuan Li, Ge Zhang, Ning Ye

    Read original paper ↗ ·

  11. Eckenverknüpfung von drei (BO4)‐Tetraedern in einem Borosulfat: Synthese, Kristallstruktur und quantenchemische Untersuchung von Sr[B3O(SO4)4(SO4H)]

    Angewandte Chemie · 2021-06-14

    Leonard C. Pasqualini, Hubert Huppertz, Minyeong Je, Heechae Choi, Jörn Bruns

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  12. Triple‐Vertex Linkage of (BO4)‐Tetrahedra in a Borosulfate: Synthesis, Crystal Structure, and Quantum‐Chemical Investigation of Sr[B3O(SO4)4(SO4H)]

    Angewandte Chemie International Edition · 2021-06-14

    Leonard C. Pasqualini, Hubert Huppertz, Minyeong Je, Heechae Choi, Jörn Bruns

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

    Chemistry - A European Journal · 2021-09-10

    Lei Kang, Zheshuai Lin

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  14. Role of interlayer coupling in second harmonic generation in bilayer transition metal dichalcogenides

    Physical review. B./Physical review. B · 2022-01-18

    Xiao Jiang, Lei Kang, Bing Qiang Huang

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  15. Sliding Modulation in Nonlinear Optical Effect in Two-Dimensional van der Waals Cu2MoS4

    ACS Applied Materials & Interfaces · 2022-02-11

    Qingchen Wu, Fei Liang, Lei Kang, Jian Wu, Zheshuai Lin

    Read original paper ↗ ·

  16. Polycations Stabilised by Borosulfates: [Au3Cl4][B(S2O7)2] and the One‐Dimensional Metal [Au2Cl4][B(S2O7)2](SO3)

    Chemistry - A European Journal · 2022-03-08

    Stefan Sutorius, David van Gerven, Selina Olthof, Bertold Rasche, Jörn Bruns

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  17. Defect engineering of second-harmonic generation in nonlinear optical semiconductors

    Cell Reports Physical Science · 2022-11-01

    Pei Li, Xiao Jiang, Menglin Huang, Lei Kang, Shiyou Chen, Ádám Gali, Bing Qiang Huang

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  18. Tetrahedron-based deep-ultraviolet nonlinear optical crystal with optimized KBe 2 BO 3 F 2 -like structure and disordered cations

    New Journal of Chemistry · 2023-01-01

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

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  19. Internal electric field enhanced photoelectrochemical water splitting in direct Z-scheme GeC/HfS2 heterostructure: A first-principles study

    Applied Physics Letters · 2023-01-23

    Yu Zhang, Yanqing Shen, Jiajia Liu, Lingling Lv, Min Zhou, Xin Yang, Xianghui Meng, Zhongxiang Zhou

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  20. A promising van der Waals two-dimensional nonlinear optical crystal NbOCl₂ for ultrathin quantum light source

    Chinese Journal of Structural Chemistry · 2023-02-24

    Hao Huo, Lei Kang

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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. Toward Sustainable Ultrawide Bandgap van der Waals Materials: An ab initio Screening Effort

    Advanced Functional Materials · 2023-10-24

    Chuin Wei Tan, Linqiang Xu, Chen‐Chen Er, Siang‐Piao Chai, Boris Kozinsky, Hui Ying Yang, Shengyuan A. Yang, Jing Lü, Yee Sin Ang

    Read original paper ↗ ·

  23. Robust Type‐II Band Alignment and Stacking‐Controlling Second Harmonic Generation in GaN/ZnO vdW Heterostructure

    Laser & Photonics Review · 2023-11-23

    Anbing Zhang, Shi Yin Qiu, Luneng Zhao, Hongsheng Liu, Jijun Zhao, Junfeng Gao

    Read original paper ↗ ·

  24. A Sharp Improvement of Sulfate's Birefringence Induced by the Synergistic Effect of Heteroleptic and Dimeric Strategies

    Small · 2023-12-10

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

    Read original paper ↗ ·

  25. Theoretical Understanding of Nonlinear Optical Properties in Solids: A Perspective

    The Journal of Physical Chemistry Letters · 2024-03-18

    Shengru Han, Liangting Ye, Li Yang, Bing Qiang Huang

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  26. Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering

    Angewandte Chemie International Edition · 2024-08-15

    Huan Zhou, Meng Cheng, Dongdong Chu, Xu Liu, Ran An, Shilie Pan, Shilie Pan, Zhihua Yang

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  27. Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering

    Angewandte Chemie · 2024-08-15

    Huan Zhou, Meng Cheng, Dongdong Chu, Xu Liu, Ran An, Shilie Pan, Zhihua Yang

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  28. Pd[B(S 2 O 7 ) 2 ] 2 and Pd[B(SO 4 ) (S 2 O 7 )] 2 : Two Borosulfates with Pd 2+ in Octahedral and One with Pd 2+ in Square Planar Oxygen Coordination

    Chemistry - A European Journal · 2025-06-02

    Stefan Sutorius, David Patrun, Arthur Edelmann, Lars Schumacher, Rainer Pöttgen, Markus Suta, Jörn Bruns

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  29. Chirality-Dependent Orbital Bulk Photovoltaic Effect in a 1D Helical Nanowire

    Nano Letters · 2025-10-03

    Lei Yang, Zhikuan Wang, Chuanhui Chen, Jinming Dong, Dongmei Li, Bing Qiang Huang, Desheng Liu, Bin Cui

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  30. Variability of a Non‐Centrosymmetric Tecto‐Borosulfate: Introduction of Various Molecular Cations into BiX[B(SO 4 ) 2 ] 4 (X = H 3 O + , NO 2 + , NH 4 + , NO + )

    Chemistry - A European Journal · 2025-10-05

    Erich Turgunbajew, Matthias Hämmer, Lkhamsuren Bayarjargal, Florian Pielnhofer, Henning A. Höppe

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  31. Two-dimensional graphene-like BeO sheet: a promising deep-ultraviolet nonlinear optical material with strong and highly tunable second harmonic generation

    Science China Materials · 2025-11-06

    Linlin Liu, Congwei Xie, Abudukadi Tudi, Keith T. Butler, Zhihua Yang

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  32. 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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