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RESEARCH PAPER · Dalton Transactions · 2020

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

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

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42 direct citing works

Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principlesOriginalK 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups14Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges26Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45Enhanced birefringence and suppressed second harmonic generation response mechanism in nonlinear optical materials via structural fine-tuning9Prediction 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 Performance6NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate7Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge8From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34A perspective on deep-ultraviolet nonlinear optical materials13From B 3 O 3 (OH) 3 to B 3 O 3 F 3 : Uncovering Series of New Functional Units Based on [BO 2 F] Beneficial for Deep‐Ultraviolet Birefringence1Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14

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  1. K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups

    Dalton Transactions · 2020-01-01

    Wenyao Zhang, Wenqi Jin, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  2. Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges

    Dalton Transactions · 2020-01-01

    Wenyao Zhang, Zhonglei Wei, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

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

    Materials Chemistry Frontiers · 2021-01-01

    Fuming Li, Shilie Pan, Zhihua Yang

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  5. 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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  6. 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

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  7. NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate

    Chemistry - An Asian Journal · 2021-08-20

    Rui Zhang, Jie Zhang, Zhihua Yang, Shujuan Han, Shilie Pan

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  8. Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge

    Dalton Transactions · 2022-01-01

    Jianlong Huang, Chengfa Wu, Jianbang Chen, Zhiyong Guo, Wenjuan Ma, Feng Yu, Bin Dai

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  9. From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement

    ACS Applied Materials & Interfaces · 2022-08-18

    Mengfan Wu, Junwei Feng, Congwei Xie, Abudukadi Tudi, Dongdong Chu, Juanjuan Lu, Shilie Pan, Zhihua Yang

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  10. 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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  11. From B 3 O 3 (OH) 3 to B 3 O 3 F 3 : Uncovering Series of New Functional Units Based on [BO 2 F] Beneficial for Deep‐Ultraviolet Birefringence

    European Journal of Inorganic Chemistry · 2024-10-04

    Kewang Zhang, Dongdong Chu, Juanjuan Lu, Zhihua Yang, Shilie Pan

    Read original paper ↗ ·

  12. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

    Read original paper ↗ ·

  13. Computer‐Aided Development of New Nonlinear Optical Materials

    Angewandte Chemie · 2024-12-05

    Hongshan Wang, Miriding Mutailipu, Zhihua Yang, Shilie Pan, Junjie Li

    Read original paper ↗ ·
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