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RESEARCH PAPER · Journal of the American Chemical Society · 2026

Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage Threshold

Jiazheng Zhou, Yu Chu, Xin Su, Le Luo, Miriding Mutailipu, Shilie Pan, Junjie Li

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Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage ThresholdOriginalBroadband infrared-transparent crystals enabled by heterologous isomorphic substitution0CaM 3 Si 4 As 11 (M = Ga, In): arsenide infrared nonlinear optical crystals enforced by novel [As 2 ] linear motifs0Design of benzoxazolium-based nonlinear optical crystals with large second-order harmonic generation responses0Diamond-like Ag x Cu 3− x PS 4 ( x = 1 and 2) synthesized by the metal oxide–boron–chalcogen (MOBQ) routine: local high-entropy engineering for balanced infrared nonlinear optical performance1KGdSiSe 4 and KGdGeSe 4 : two rare earth-based selenides with wide bandgaps and large nonlinear optical responses0KGdSiSe4 and KGdGeSe4: Two Rare Earth Metal-Based Selenides with Wide Bandgaps and Large Nonlinear Optical Responses0Te–Se replacement induced structural transition and enhanced band gaps in Cd 5 Se 4 O 12 Cl 2 and Cd 5 Se 4 O 12 Br 21van der Waals layered CuInP 2 S 6 as infrared nonlinear optical material1The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 115The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 110Linear [ICl 2 ] Units Induced Giant Optical Anisotropy in AICl 2 (A = NH 4 , Rb): A Pathway to Advanced Birefringent Materials4Mid‐ to Far‐Infrared Nonlinear Optical Crystals: Design Strategies, Structure–Property Relationships and Engineering Prospects0First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances1A new phase and transformation mechanism in BaGa4Se7 infrared nonlinear optical crystal0Halogen-Mediated Dimensionality Reduction in Bismuth Oxychlorides: Trade-off between Birefringence and Band Gap0Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity0Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity0AlGaS3: a wide band gap ternary diamond-like infrared nonlinear optical material with high laser-induced damage threshold1Fluorinated substituent engineering in naphthyl chalcone crystals for enhanced second-order nonlinear optical responses and measurable terahertz emission0Beyond the bandgap bottleneck: structure–property design principles for infrared nonlinear optical phosphides0Homologous lattice coupling drives the formation of tetrahedra-ordered phase exhibiting enhanced optical nonlinearity and band gap0

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  1. Broadband infrared-transparent crystals enabled by heterologous isomorphic substitution

    Dalton Transactions · 2026-01-01

    B Yang, Ziqi Chen, Zhenjiang Lu, Juanjuan Lu

    Read original paper ↗ ·

  2. CaM 3 Si 4 As 11 (M = Ga, In): arsenide infrared nonlinear optical crystals enforced by novel [As 2 ] linear motifs

    Chemical Science · 2026-01-01

    Shusen Yang, Qichao Zhao, Xuemei Shi, Guang Peng, Ning Ye, Jindong Chen

    Read original paper ↗ ·

  3. Design of benzoxazolium-based nonlinear optical crystals with large second-order harmonic generation responses

    Chemical Communications · 2026-01-01

    Shaona Wang, Bin Li, Xinyuan Zhang, Zhanggui Hu, Ning Ye

    Read original paper ↗ ·

  4. Diamond-like Ag x Cu 3− x PS 4 ( x = 1 and 2) synthesized by the metal oxide–boron–chalcogen (MOBQ) routine: local high-entropy engineering for balanced infrared nonlinear optical performance

    Inorganic Chemistry Frontiers · 2026-01-01

    Ao Guo, Rong-Ling Zhu, Zi-Nan Chen, Zhi Deng, Zong-Ze Li, Shao-Peng Gui, Mao‐Yin Ran, Sheng‐Ping Guo

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  5. KGdSiSe 4 and KGdGeSe 4 : two rare earth-based selenides with wide bandgaps and large nonlinear optical responses

    Dalton Transactions · 2026-01-01

    Zhenglong Li, Guansong Zheng, Chen Bai, Leyan Nian, Shilie Pan, Junjie Li

    Read original paper ↗ ·

  6. KGdSiSe4 and KGdGeSe4: Two Rare Earth Metal-Based Selenides with Wide Bandgaps and Large Nonlinear Optical Responses

    SSRN Electronic Journal · 2026-01-01

    Zhenlong Li, Guansong Zheng, Chen Bai, Leyan Nian, Shilie Pan, Junjie Li

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  7. Te–Se replacement induced structural transition and enhanced band gaps in Cd 5 Se 4 O 12 Cl 2 and Cd 5 Se 4 O 12 Br 2

    Dalton Transactions · 2026-01-01

    Maqsood Iqbal, Jiazheng Zhou, Aqsa Munawar, Juanjuan Lu, Junjie Li

    Read original paper ↗ ·

  8. van der Waals layered CuInP 2 S 6 as infrared nonlinear optical material

    Chemical Communications · 2026-01-01

    Zheng-Tao Hu, 马祖驹, Xin‐Tao Wu, Qi‐Long Zhu, Hua Lin

    Read original paper ↗ ·

  9. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

    Angewandte Chemie International Edition · 2026-04-25

    Hongshan Wang, Miriding Mutailipu, Shilie Pan, Junjie Li

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  10. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

    Angewandte Chemie · 2026-04-26

    Hongshan Wang, Miriding Mutailipu, Shilie Pan, Junjie Li

    Read original paper ↗ ·

  11. 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

    Read original paper ↗ ·

  12. Mid‐ to Far‐Infrared Nonlinear Optical Crystals: Design Strategies, Structure–Property Relationships and Engineering Prospects

    Advanced Optical Materials · 2026-07-21

    Xiangran Kong, Jingdong Yan, Zi Wang, Hongwei Leng, Shichao Cheng, Sue Hao, Xiaoran Niu, Zuotao Lei, Chunhui Yang

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  13. First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 8

    Advanced Physics Research · 2026-07-23

    Saravana Karthikeyan SKS, Sankar Ganesh Ramaraj, Ryo Watanabe, Choji Fukuhara, Chang Yi Kong

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  14. CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances

    Laser & Photonics Review · 2026-07-24

    Qichao Zhao, Xuemei Shi, Bo Li, Guang Peng, Ning Ye, Jindong Chen

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  15. A new phase and transformation mechanism in BaGa4Se7 infrared nonlinear optical crystal

    Chinese Chemical Letters · 2026-08-01

    Yu-Jie Zhang, Zhen Qian, Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  16. Halogen-Mediated Dimensionality Reduction in Bismuth Oxychlorides: Trade-off between Birefringence and Band Gap

    Journal of Molecular Structure · 2026-08-03

    Huaiqiang Xun, Shumei Cao, Qingyue Cui, Yi Feng, Rui Wu, Chunmei Huang, Leyan Nian

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  17. Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity

    Angewandte Chemie · 2026-08-26

    Qichao Zhao, Bingxuan Li, Guang Peng, Ning Ye, Jindong Chen

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  18. Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity

    Angewandte Chemie International Edition · 2026-08-26

    Qichao Zhao, Bingxuan Li, Guang Peng, Ning Ye, Jindong Chen

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  19. AlGaS3: a wide band gap ternary diamond-like infrared nonlinear optical material with high laser-induced damage threshold

    Science China Materials · 2026-09-04

    Yunfei Shi, Hongshan Wang, Yu Chu, Xin Su, Zhenglong Li, Juanjuan Lu, Ailijiang Abudurusuli, Junjie Li, Shilie Pan

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  20. Fluorinated substituent engineering in naphthyl chalcone crystals for enhanced second-order nonlinear optical responses and measurable terahertz emission

    Journal of Molecular Structure · 2026-09-09

    Qi Chu, Fanghao Xuan, Shoubo Wang, Jinkang Ma, Weiting Wang, Yukang Liang, Dongwei Zhai, Lifeng Cao, Bing Teng

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  21. Beyond the bandgap bottleneck: structure–property design principles for infrared nonlinear optical phosphides

    Coordination Chemistry Reviews · 2026-09-22

    Zichang Wang, Dajiang Mei, Ximeng Lv, Shuchang Wu, Yang Liu, Jingdong Yan, Xiangran Kong, Hongwei Leng, Zuotao Lei, Chunhui Yang

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  22. Homologous lattice coupling drives the formation of tetrahedra-ordered phase exhibiting enhanced optical nonlinearity and band gap

    Chinese Chemical Letters · 2026-10-01

    Qichao Zhao, Lihua Gao, Bingxuan Li, Xuemei Shi, Guang Peng, Ning Ye, Jindong Chen

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