First-principle studies of properties of ternary layered M2PbC (M=Ti, Zr and Hf)

Qian, Xukun; Wang, Ning; Li, Yuxiang; Zhou, Yuan; Hua-xia, WU; Li, Yibin; He, Xiaodong

doi:10.1016/j.commatsci.2012.08.004

Cited by 13 publications

(1 citation statement)

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“…According to their results, Ti2CdN appeared to be stiffer than the already synthesized Ti2CdC, which is used in many engineering applications. Qian et al (2012), investigated the structural, electronic, mechanical, and optical properties of only one M2AX material, i.e. the Nano-laminated M2PbC (M = Ti, Zr and Hf) compounds using firstprinciples methods based on the DFT as implemented in the CASTEP code (Segall et al, 2002).…”

Section: Introductionmentioning

confidence: 99%

The Mechanical and Elastic Properties of Selected 211 MAX Phases

Geoffrey Arusei,

Nicholus Makau,

George Amolo

et al. 2023

Kabarak j. res. innov.

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MAX Phases are a class of ternary materials that have continued to play a greater role in the field of materials science due to their unique properties that bridge the gap between metals and ceramics which have uses in a wide range of applications. The studies done so far have proven that MAX phase materials are indeed a promising class of materials in a wide range of applications. However, in spite of this progress, there are still a lot of open questions and properties that needs to be understood. The Mechanical and elastic properties of (Nine) MAX phase materials, namely, Ti2AlC, Ti2AlN, Ti2GaC, Ti2GaN, Ti2PbC, Ti2CdC, Ti2SiC, Ti2GeC and Ti2SnC have been investigated using the density functional theory within the generalized gradient approximations as expressed in Quantum Espresso and VASP codes. The values of elastic anisotropy, Young’s modulus, Poisson ratio and shear modulus revealed that the compounds were indeed stable and ductile. Out of all the nine MAX Phase materials, Ti2PbC and Ti2CdC are more stable than the other considered compounds. The findings of this study suggest that the nine MAX phases considered in this study are potential candidates in various industrial applications requiring hard materials

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Section: Introductionmentioning

confidence: 99%

The Mechanical and Elastic Properties of Selected 211 MAX Phases

Geoffrey Arusei,

Nicholus Makau,

George Amolo

et al. 2023

Kabarak j. res. innov.

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Elastic Properties, Raman and Infrared Spectroscopy

Barsoum

2013

MAX Phases

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Synthesis of Accordion‐like Ti₃CN MXene and its Structural Stability in Aqueous Solutions and Organic Solvents

et al. 2022

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MXene materials have shown promising applications in selective separation membranes and many other fields. However, their structural stability which is critically important to applications in the presence of aqueous solutions and organic solvents remains largely unexplored. In this work, we have conducted a systematic study on the synthesis of accordionlike Ti 3 CN MXene and its stability in aqueous solutions, ethanol and N,N-dimethylformamide (DMF). Based on the XRD, SEM and TEM results, 20 % HF acid and an etching time of 24 h is regarded as the optimal parameter to synthesize accordion-like Ti 3 CN MXene. Ti 3 CN MXene exhibits limited stability in the aqueous solutions. Ti 3 CN MXene partially transforms to anatase TiO 2 nanoparticles in pH = 1 and 7 aqueous solutions, and amorphous TiO 2 nanowires in pH = 14 aqueous solution after a 7-day test at 25 °C. When the testing temperature is increased to 80 °C, this structure transformation rate is increased remarkably. Meanwhile, Ti 3 CN MXene shows excellent stability in C 2 H 5 OH and DMF up to 7-day at 25 and 80 °C, respectively. It is believed that these findings are helpful for guiding the controllable synthesis of Ti 3 CN MXene and seeking the potential applications in the presence of aqueous solutions, ethanol and DMF.

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First-principle studies of properties of ternary layered M2PbC (M=Ti, Zr and Hf)

Cited by 13 publications

References 46 publications

The Mechanical and Elastic Properties of Selected 211 MAX Phases

The Mechanical and Elastic Properties of Selected 211 MAX Phases

Elastic Properties, Raman and Infrared Spectroscopy

Synthesis of Accordion‐like Ti₃CN MXene and its Structural Stability in Aqueous Solutions and Organic Solvents

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First-principle studies of properties of ternary layered M2PbC (M=Ti, Zr and Hf)

Cited by 13 publications

References 46 publications

The Mechanical and Elastic Properties of Selected 211 MAX Phases

The Mechanical and Elastic Properties of Selected 211 MAX Phases

Elastic Properties, Raman and Infrared Spectroscopy

Synthesis of Accordion‐like Ti3CN MXene and its Structural Stability in Aqueous Solutions and Organic Solvents

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Synthesis of Accordion‐like Ti₃CN MXene and its Structural Stability in Aqueous Solutions and Organic Solvents