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RESEARCH PAPER · European Journal of Inorganic Chemistry · 2024

Unraveling Superior Elasticity and Controlled Thermal Expansion in Trigonal MBO3 (M=Al, Ga) with Isolated [BO3] Group: A Theoretical Perspective

Dingfeng Yang, Yurou Tang, Hongxu Xia, Keman Yin, Yuanyuan Li, Yuanyuan Li

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Unraveling Superior Elasticity and Controlled Thermal Expansion in Trigonal MBO3 (M=Al, Ga) with Isolated [BO3] Group: A Theoretical PerspectiveOriginalLow thermal expansion and high lattice thermal conductivity in β-sodalite Co 4 B 6 O 13 : enhancing the local rigidity of the cationic tetrahedral cluster4First-principles prediction of mechanical, electrical, and optical properties in borates MBO3 (M = Sc, Al, Ga, Ti)5Unraveling low thermal expansion of CrBO3 via atomic scale analysis: Flexible CrO6 octahedron vs rigid BO3 triangle group2Low Thermal Expansion in Niobate Borate NbBO4 Enabled by Compensated Grüneisen Parameters of NbO8 Polyhedra1Tunable negative and low thermal expansion in magnetic calcite-type Fe 1− x Cr x BO 3 ( x = 0.0, 0.14, 1.0) borates: a comprehensive in situ study1Local Bond Engineering in LiMBO 4 (M = Si, Ge): Synergistic Negative Grüneisen Parameter and Bond Stiffening for Reduced Thermal Expansion0Structural, Mechanical, Thermal, and Optical Properties of Sb 2 O 3 –PbO–B 2 O 3 Glasses: An Atomistic MD–DFT Study0Thermal Expansion Anomalies of Fe1–xGaxBO3 Antiferromagnets0Tunable Low Thermal Expansion in Calcite-Type FeBO3 and CrBO3 Borates0

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  1. Low thermal expansion and high lattice thermal conductivity in β-sodalite Co 4 B 6 O 13 : enhancing the local rigidity of the cationic tetrahedral cluster

    Journal of Materials Chemistry C · 2025-01-01

    Yuanyuan Li, Dingfeng Yang, Wen Jiang, Xiangnan Gong, Wenjing Huang, Jie Gao

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  2. First-principles prediction of mechanical, electrical, and optical properties in borates MBO3 (M = Sc, Al, Ga, Ti)

    Physica Scripta · 2025-08-20

    Hao Wu, He Ma, Xudong Zhang, Lijia Chen, Shiyi Chen, Haonan Li

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  3. Unraveling low thermal expansion of CrBO3 via atomic scale analysis: Flexible CrO6 octahedron vs rigid BO3 triangle group

    Journal of Applied Physics · 2025-09-03

    Dingfeng Yang, Yuanyuan Li

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  4. Low Thermal Expansion in Niobate Borate NbBO4 Enabled by Compensated Grüneisen Parameters of NbO8 Polyhedra

    Inorganic Chemistry · 2025-09-30

    Yuanyuan Li, Jie Gao, Dingfeng Yang

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  5. Tunable negative and low thermal expansion in magnetic calcite-type Fe 1− x Cr x BO 3 ( x = 0.0, 0.14, 1.0) borates: a comprehensive in situ study

    Journal of Materials Chemistry C · 2026-01-01

    Y.P. Biryukov, Almaz L. Zinnatullin, A.P. Shablinskii, Yulia Sergeevna Gokhfeld, Margarita S. Avdontceva, Mikhail A. Cherosov, Natalia V. Kazak, Maria Georgievna Krzhizhanovskaya, Maxim D. Kuznetsov, Valeriy L. Ugolkov, Sergey M. Zharkov, Galina M. Zeer, Valery V. Rudenko, Р. С. Бубнова, Farit G. Vagizov, С. К. Филатов

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  6. Local Bond Engineering in LiMBO 4 (M = Si, Ge): Synergistic Negative Grüneisen Parameter and Bond Stiffening for Reduced Thermal Expansion

    Chemistry of Materials · 2026-02-04

    Wenjing Huang, Yuanyuan Li, Dingfeng Yang

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  7. Structural, Mechanical, Thermal, and Optical Properties of Sb 2 O 3 –PbO–B 2 O 3 Glasses: An Atomistic MD–DFT Study

    Journal of the American Ceramic Society · 2026-05-28

    Ahmed Shahboub, Gomaa El-Damrawi, Rawya M. Ramadan, M. Al-Zaibani

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  8. Thermal Expansion Anomalies of Fe1–xGaxBO3 Antiferromagnets

    Russian Journal of Inorganic Chemistry · 2026-07-01

    Kira Seleznyova, E. S. Smirnova, M.B. Strugatsky, N.I. Snegirev, Sergey V. Yagupov, Yu. A. Mogilenec, E. M. Maksimova, Olga A. Alekseeva, I. S. Lyubutin

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  9. Tunable Low Thermal Expansion in Calcite-Type FeBO3 and CrBO3 Borates

    Unknown journal · 2026-09-11

    Maxim D. Kuznetsov, Almaz L. Zinnatullin, Y.P. Biryukov, Yulia S. Gokhfeld, Natalia V. Kazak, Maria Georgievna Krzhizhanovskaya, Farit G. Vagizov, Р. С. Бубнова

    Read original paper ↗ ·
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