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RESEARCH PAPER · Inorganic Chemistry · 2020

Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations

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Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT CalculationsOriginalStructural Modulation from Cu 3 PS 4 to Cu 5 Zn 0.5 P 2 S 8 : Single-Site Aliovalent-Substitution-Driven Second-Harmonic-Generation Enhancement28Partial congener substitution induced centrosymmetric to noncentrosymmetric structural transformation and nonlinear optical properties of PbSnSiS413Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties69Component Interaction in the Quasi-Ternary System PbSe–Ga2Se3–GeSe21Ba6Ge2Se12 and Ba7Ge2Se17: Two Centrosymmetric Barium Seleno-Germanates with Polyatomic Anion Disorder6Crystal structure, phase width, and physical properties of the barium tetrel selenides Ba 6 Si 2− x Ge x Se 12 ( x = 0, 0.5, 1, and 1.5) with ultralow thermal conductivity3Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization133Sr6Ge3OSe11: A Rationally Designed Noncentrosymmetric Oxyselenide with Polar [GeOSe3] Building Blocks16Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance57Pb 3.5 GeS 4 Br 3 : the first phase-matching thiogermanate halide infrared nonlinear optical material12RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation23First principle investigation of structural, electronic, optical and thermoelectric properties of Chalcogenide Sr2GeX4(X=S, Se)31Computational insights into structural, electronic, optical and thermoelectric features of ternary chalcogenide Ca2GeX4 (X=S, Se, Te) compounds17BaPb2Ga6Q12 (Q = S, Se): The first two compounds in the Ba–Pb-Ga-Q (Q = S, Se) systems0Recent progress in structural design strategies of high-birefringence optical crystals55Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs29Investigating Nonlinear Optical and Thermal Properties in Sr2SiSe4 through Noncentrosymmetric Crystal Structure Comparison with Sr2SnSe41

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  1. Structural Modulation from Cu 3 PS 4 to Cu 5 Zn 0.5 P 2 S 8 : Single-Site Aliovalent-Substitution-Driven Second-Harmonic-Generation Enhancement

    Inorganic Chemistry · 2021-03-12

    Bang-Jun Song, Zuju Ma, Bingxuan Li, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  2. Partial congener substitution induced centrosymmetric to noncentrosymmetric structural transformation and nonlinear optical properties of PbSnSiS4

    Journal of Alloys and Compounds · 2021-12-23

    Jiazheng Zhou, Ling Luo, Yu Chu, Peng Wang, Zhiyong Guo, Xin Su, Junjie Li

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  3. Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties

    Chemical Science · 2022-01-01

    Hedi Yang, Mao‐Yin Ran, Shenghua Zhou, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  4. Component Interaction in the Quasi-Ternary System PbSe–Ga2Se3–GeSe2

    Journal of Phase Equilibria and Diffusion · 2022-12-06

    Hadj K. Bellagra, Yuri M. Kogut, Л.В. Піскач

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  5. Ba6Ge2Se12 and Ba7Ge2Se17: Two Centrosymmetric Barium Seleno-Germanates with Polyatomic Anion Disorder

    Inorganic Chemistry · 2022-12-26

    Luke T. Menezes, Brooke N. Richtik, Abdeljalil Assoud, Ivan D. Zeljkovic, Nader Farahi, Michelle Dolgos, Holger Kleinke

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  6. Crystal structure, phase width, and physical properties of the barium tetrel selenides Ba 6 Si 2− x Ge x Se 12 ( x = 0, 0.5, 1, and 1.5) with ultralow thermal conductivity

    Dalton Transactions · 2023-01-01

    Luke T. Menezes, Abdeljalil Assoud, Holger Kleinke

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  7. Recent progress in the design of IR nonlinear optical materials by partial chemical substitution: Structural evolution and performance optimization

    Coordination Chemistry Reviews · 2023-02-08

    Mao‐Yin Ran, A-Yang Wang, Wenbo Wei, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  8. Sr6Ge3OSe11: A Rationally Designed Noncentrosymmetric Oxyselenide with Polar [GeOSe3] Building Blocks

    Chemistry of Materials · 2023-03-27

    Luke T. Menezes, Eliana Gage, Abdeljalil Assoud, Mingli Liang, P. Shiv Halasyamani, Holger Kleinke

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  9. Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance

    Materials Today Physics · 2023-05-26

    Hedi Yang, Mao‐Yin Ran, Wenbo Wei, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

    Read original paper ↗ ·
  10. Pb 3.5 GeS 4 Br 3 : the first phase-matching thiogermanate halide infrared nonlinear optical material

    Inorganic Chemistry Frontiers · 2024-01-01

    Jiazheng Zhou, Hongshan Wang, Junjie Liu, Xin Su, Yu Chu, Jiale Qu, Xiangzhan Jiang

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  11. RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation

    Inorganic Chemistry Frontiers · 2024-01-01

    A-Yang Wang, Sheng-Hua Zhou, Mao‐Yin Ran, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  12. First principle investigation of structural, electronic, optical and thermoelectric properties of Chalcogenide Sr2GeX4(X=S, Se)

    Materials Science in Semiconductor Processing · 2024-01-15

    Muhammad Jawad, Amin Ur Rahman, Qaiser Rafique, Sikander Azam, Muhammad Farzik Ijaz

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  13. Computational insights into structural, electronic, optical and thermoelectric features of ternary chalcogenide Ca2GeX4 (X=S, Se, Te) compounds

    Materials Science in Semiconductor Processing · 2024-09-18

    Muhammad Jawad, Amin Ur Rahman, Shafaat Hussain Mirza, Akbar Ali, Noor ul Amin, Mubashar Ali, Sikander Azam, Mohamed A. Shenashen

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  14. BaPb2Ga6Q12 (Q = S, Se): The first two compounds in the Ba–Pb-Ga-Q (Q = S, Se) systems

    Journal of Solid State Chemistry · 2025-03-14

    Jinlong Shi, Guili Wang, Chunxiao Li, Pifu Gong, Jiyong Yao

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  15. Recent progress in structural design strategies of high-birefringence optical crystals

    Coordination Chemistry Reviews · 2025-05-08

    A-Lan Xu, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

    Read original paper ↗ ·
  16. Structure-property relationships in IR nonlinear optical chalcogenides with stereochemically active lone pairs

    Coordination Chemistry Reviews · 2025-09-03

    Hong Chen, Xin‐Tao Wu, Hua Lin

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  17. Investigating Nonlinear Optical and Thermal Properties in Sr2SiSe4 through Noncentrosymmetric Crystal Structure Comparison with Sr2SnSe4

    Chemistry of Materials · 2026-09-22

    Tristan Licskai, Laura Mereweather, Abdeljalil Assoud, Ehsan Niknam, Yunseung Kuk, P. Shiv Halasyamani, Holger Kleinke

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