Extension of MAX phases from ternary carbides and nitrides (X = C and N) to ternary borides (X = B, C, and N): A general guideline

Zhou, Yanchun; Xiang, Huimin; Hu, Chunfeng

doi:10.1111/ijac.14223

Cited by 17 publications

(12 citation statements)

References 59 publications

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“…Figure depicts the crystal structure of ternary Hf 2 SB MAX phases that crystallize to a hexagonal structure [space group P 63̅ mmc ] just like the other C- or N-containing MAX compounds. ,− ,,,, The investigated MAX phase compounds have two formula units, each of which has four atoms. The atomic positions of these MAX phase compounds are as follows: Hf atoms at 4f (0.3333, 0.6667, Z M ), A atoms at 2d (0.3333, 0.6667, 0.75), and X atoms at 2a (0, 0, 0) sites.…”

Section: Resultsmentioning

confidence: 99%

DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

Islam,

Ali

et al. 2023

ACS Omega

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In this work, density functional theory (DFT)-based calculations were performed to compute the physical properties (structural stability, mechanical behavior, and electronic, thermodynamic, and optical properties) of synthesized MAX phases Hf 2 SB, Hf 2 SC, Hf 2 SeB, Hf 2 SeC, and Hf 2 TeB and the as-yet-undiscovered MAX carbide phase Hf 2 TeC. Calculations of formation energy, phonon dispersion curves, and elastic constants confirmed the stability of the aforementioned compounds, including the predicted Hf 2 TeC. The obtained values of lattice parameters, elastic constants, and elastic moduli of Hf 2 SB, Hf 2 SC, Hf 2 SeB, Hf 2 SeC, and Hf 2 TeB showed fair agreement with earlier studies, whereas the values of the aforementioned parameters for the predicted Hf 2 TeC exhibit a good consequence of B replacement by C. The anisotropic mechanical properties are exhibited by the considered MAX phases. The metallic nature and its anisotropic behavior were revealed by the electronic band structure and density of states. The analysis of the thermal properties—Debye temperature, melting temperature, minimum thermal conductivity, and Grüneisen parameter—confirmed that the carbide phases were more suited than the boride phases considered herein. The MAX phase’s response to incoming photons further demonstrated that they were metallic. Their suitability for use as coating materials to prevent solar heating was demonstrated by the reflectivity spectra. Additionally, this study demonstrated the impact of B replacing C in the MAX phases.

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Section: Resultsmentioning

confidence: 99%

DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

Islam,

Ali

et al. 2023

ACS Omega

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“…MAX phase is a class of ternary layered compounds with the chemical formula of M n +1 AX n ( n = 1–3), in which M element is an early transition metal, A element is the main group element, and X element is C, N, or B 1–7 . With different n values, MAX phases can be divided into 211 phases, 312 phases, and 413 phases.…”

Section: Introductionmentioning

confidence: 99%

“…MAX phase is a class of ternary layered compounds with the chemical formula of M n+1 AX n (n = 1-3), in which M element is an early transition metal, A element is the main group element, and X element is C, N, or B. [1][2][3][4][5][6][7] With different n values, MAX phases can be divided into 211 phases, 312 phases, and 413 phases. Currently, the vast majority of MAX phases are 211 phases, with only 11 types of 312 Qiqiang Zhang and Bo Wen contributed equally to the work.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of new lead‐containing MAX phases of Zr₃PbC₂ and Hf₃PbC₂

et al. 2023

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In this work, two new 312 MAX phases of Zr3PbC2 and Hf3PbC2 were successfully synthesized by spark plasma sintering. It is the first discovery of lead‐containing 312 MAX phases, which together with M2PbC (M = Ti, Zr, Hf) form the lead‐containing MAX phase family. Considering the extremely low electrical conductivity of Hf2PbC, these two new compounds are of great research value. Based on the Rietveld refinement results, their lattice parameters and atomic positions were well determined, as a = 3.3771(5) Å, c = 20.0070(9) Å for Zr3PbC2 and a = 3.3357(1) Å, c = 19.7659(8) Å for Hf3PbC2, where M atoms are located at (0, 0, 0) and (1/3, 2/3, 0.1258(6)[Zr]; 0.1255(2)[Hf]), Pb atoms are located at (0, 0, 1/4), and C atoms are located at (1/3, 2/3, 0.0663(2)[Zr]; 0.0641(3)[Hf]), respectively. Additionally, the typical laminar microstructure of Zr3PbC2 and Hf3PbC2 grains was observed.

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“…[1][2][3][4] They have been widely investigated in a family of ternary laminar carbides, nitrides, and borides. [5][6][7] Here, the general formula of MAX phase is M n+1 AX n (n = 1-6), where M, A, and X represent the early transition metal, A group elements, and C, N, or B. 8,9 Recently, a new family of laminar compounds with in-plane chemical order, called i-MAX, has been discovered.…”

Section: Introductionmentioning

confidence: 99%

“…MAX phases are promising candidates to be operated in the aggressive working conditions due to their unique combination of metallic and ceramic properties 1–4 . They have been widely investigated in a family of ternary laminar carbides, nitrides, and borides 5–7 . Here, the general formula of MAX phase is M n +1 AX n ( n = 1–6), where M, A, and X represent the early transition metal, A group elements, and C, N, or B 8,9 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis and characterization of ternary layered i‐MAX (Mo_2/3Y_1/3)₂AlC ceramics fabricated by spark plasma sintering

Cheng

Zhang

et al. 2023

Int J Applied Ceramic Tech

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In this paper, the i-MAX phase (Mo 2/3 Y 1/3 ) 2 AlC ceramic with high purity of 98.29 wt% (1.13 wt% Y 2 O 3 and 0.58 wt% Mo 2 C) and high relative density of 98.59% was successfully synthesized by spark plasma sintering (SPS) at 1500 • C with the molar ratio of n(Mo):n(Y):n(Al):n(C) = 4:2:3.3:2.7. The positions of C atoms in the crystal of (Mo 2/3 Y 1/3 ) 2 AlC were determined. Microstructure and physical and mechanical properties of (Mo 2/3 Y 1/3 ) 2 AlC ceramic were systematically investigated. It was found that the obtained (Mo 2/3 Y 1/3 ) 2 AlC ceramic had an average grain size of 32.1 ± 3.1 μm in length and 14.2 ± 1.7 μm in width. In terms of physical properties, the measured thermal expansion coefficient (TEC) of (Mo 2/3 Y 1/3 ) 2 AlC was 8.99 × 10 −6 K −1 , and the thermal capacity and thermal conductivity at room temperature were 0.43 J⋅g −1 ⋅K −1 and 13.75 W⋅m −1 ⋅K −1 , respectively. The room temperature electrical conductivity of (Mo 2/3 Y 1/3 ) 2 AlC ceramic was measured to be 1.25 × 10 6 Ω −1 ⋅m −1 . In terms of mechanical properties, Vickers hardness under 10 N load was measured as 10.54 ± 0.29 GPa, while flexural strength, fracture toughness, and compressive strength were determined as 260.08 ± 14.18 MPa, 4.51 ± 0.70 MPa⋅m 1/2 , and 855 ± 62 MPa, respectively, indicating the promising structural applications.

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Extension of MAX phases from ternary carbides and nitrides (X = C and N) to ternary borides (X = B, C, and N): A general guideline

Cited by 17 publications

References 59 publications

DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

Synthesis of new lead‐containing MAX phases of Zr₃PbC₂ and Hf₃PbC₂

Synthesis and characterization of ternary layered i‐MAX (Mo_2/3Y_1/3)₂AlC ceramics fabricated by spark plasma sintering

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Extension of MAX phases from ternary carbides and nitrides (X = C and N) to ternary borides (X = B, C, and N): A general guideline

Cited by 17 publications

References 59 publications

DFT Insights into MAX Phase Borides Hf2AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf2AC [A = S, Se, Te]

DFT Insights into MAX Phase Borides Hf2AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf2AC [A = S, Se, Te]

Synthesis of new lead‐containing MAX phases of Zr3PbC2 and Hf3PbC2

Synthesis and characterization of ternary layered i‐MAX (Mo2/3Y1/3)2AlC ceramics fabricated by spark plasma sintering

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Product

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DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

DFT Insights into MAX Phase Borides Hf₂AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf₂AC [A = S, Se, Te]

Synthesis of new lead‐containing MAX phases of Zr₃PbC₂ and Hf₃PbC₂

Synthesis and characterization of ternary layered i‐MAX (Mo_2/3Y_1/3)₂AlC ceramics fabricated by spark plasma sintering