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RESEARCH PAPER · Advanced Functional Materials · 2026

Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical Performance

Mao‐Yin Ran, Shao-Peng Gui, Jian Cheng, Yu‐Xuan Zhang, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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Mineral‐Inspired and Computation‐Assisted Rational Design of Polar Gittinsite‐Type Thiophosphates With Exceptional Nonlinear Optical PerformanceOriginalAVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions0EuMn6Ga6S16: A Wide Bandgap Europium-Based Nonlinear Optical Sulfide0Experimental and first-principles investigation of 3-cyanopyridinium perchlorate: A new semi-organic crystal with enhanced optical and third-order nonlinear optical properties0A Composition-Matched Intermediate Reveals Site-Specific Symmetry Evolution with Retained Second-Harmonic Generation in Supertetrahedral Sulfides0

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  1. AVP2S7 (A = K, Rb): Dual-Optimized Infrared Nonlinear Optical Thiophosphates via Heterovalent-Substitution-Driven Symmetry Breaking and Reinforced Interlayer Interactions

    Inorganic Chemistry · 2026-08-11

    Shao-Peng Gui, Zi-Nan Chen, Wei-Hua Yan, Yu‐Xuan Zhang, Mao‐Yin Ran, Sheng‐Ping Guo

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  2. EuMn6Ga6S16: A Wide Bandgap Europium-Based Nonlinear Optical Sulfide

    Inorganic Chemistry · 2026-08-16

    Yu‐Xuan Zhang, Jiang-Hui Fan, Zhen‐Cheng Wu, Shao-Peng Gui, Mao‐Yin Ran, Sheng‐Ping Guo

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  3. Experimental and first-principles investigation of 3-cyanopyridinium perchlorate: A new semi-organic crystal with enhanced optical and third-order nonlinear optical properties

    Journal of Alloys and Compounds Communications · 2026-09-26

    Aasis Dhamala, Kintali Manohor Prasad, S. Divagar, P. Srinivasan, Rajalingam Thangavel

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  4. A Composition-Matched Intermediate Reveals Site-Specific Symmetry Evolution with Retained Second-Harmonic Generation in Supertetrahedral Sulfides

    Inorganic Chemistry · 2026-10-12

    KuiXian Cai, Ximeng Lv, Chuang Liu, Shuchang Wu, Zichang Wang, Yang Liu, Bin Luo, Xiao‐Ming Jiang, Dajiang Mei

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