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<p>Out-of-plane ordering is promising for separately adjusting the heterodesmic chemical bonding inside the MAX phase thus tuning their properties, while constructing the out-of-plane ordered-MAX (<i>o</i>-MAX) is still a challenge. In this work, a strategy towards <i>o</i>-MAX by solid solutions of two existing <i>o</i>-MAXs is verified, i.e., Cr<sub>2.5</sub>Ti<sub>1.5</sub>AlC<sub>3</sub> and Mo<sub>2</sub>Ti<sub>2</sub>AlC<sub>3</sub>, with controllable stoichiometric ratios (1:2, 1:1, and 2:1). A miscible chemical ordering is observed in three Ti-Cr-Mo quinary MAXs, which inherits the out-of-plane ordering from both parental <i>o</i>-MAXs. Meanwhile, through density functional theory (DFT) calculations, the electronic structure and bonding states inside the quinary <i>o</i>-MAXs are analyzed. Based on the calculations, anisotropic and improved mechanical properties are predicted, which agree with the experimental observed high compressive strength and tunable capacity of energy dissipation. The present work proves a promising way for synthesizing multicomponent <i>o</i>-MAXs.</p>

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Miscible chemical ordering in Ti-Cr-Mo quinary system by solid solution of Mo2Ti2AlC3 and Cr2.5Ti1.5AlC3 o-MAXs

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年3月27日

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  • Cheng-Feng Du,
  • Chuanchao Wang,
  • Mengfei Xu,
  • Yaqing Xue,
  • Lili Xue,
  • Conghui Meng,
  • Long Wang,
  • Weihong Qi,
  • Xuqing Liu,
  • Hong Yu

摘要

Out-of-plane ordering is promising for separately adjusting the heterodesmic chemical bonding inside the MAX phase thus tuning their properties, while constructing the out-of-plane ordered-MAX (o-MAX) is still a challenge. In this work, a strategy towards o-MAX by solid solutions of two existing o-MAXs is verified, i.e., Cr2.5Ti1.5AlC3 and Mo2Ti2AlC3, with controllable stoichiometric ratios (1:2, 1:1, and 2:1). A miscible chemical ordering is observed in three Ti-Cr-Mo quinary MAXs, which inherits the out-of-plane ordering from both parental o-MAXs. Meanwhile, through density functional theory (DFT) calculations, the electronic structure and bonding states inside the quinary o-MAXs are analyzed. Based on the calculations, anisotropic and improved mechanical properties are predicted, which agree with the experimental observed high compressive strength and tunable capacity of energy dissipation. The present work proves a promising way for synthesizing multicomponent o-MAXs.