| 1. |
- Tao, Quanzheng, et al.
(författare)
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Atomically Layered and Ordered Rare-Earth i-MAX Phases : A New Class of Magnetic Quaternary Compounds
- 2019
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Ingår i: Chemistry of Materials. - : American Chemical Society (ACS). - 0897-4756 .- 1520-5002. ; 31:7, s. 2476-2485
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Tidskriftsartikel (refereegranskat)abstract
- In 2017, we discovered quaternary i-MAX phases atomically layered solids, where M is an early transition metal, A is an A group element, and X is C—with a (M12/3M21/3)2AC chemistry, where the M1 and M2 atoms are in-plane ordered. Herein, we report the discovery of a class of magnetic i-MAX phases in which bilayers of a quasi-2D magnetic frustrated triangular lattice overlay a Mo honeycomb arrangement and an Al Kagome lattice. The chemistry of this family is (Mo2/3RE1/3)2AlC, and the rare-earth, RE, elements are Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu. The magnetic properties were characterized and found to display a plethora of ground states, resulting from an interplay of competing magnetic interactions in the presence of magnetocrystalline anisotropy.
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| 2. |
- Anasori, Babak, et al.
(författare)
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A Tungsten-Based Nanolaminated Ternary Carbide: (W,Ti)(4)C4-x
- 2019
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Ingår i: Inorganic Chemistry. - : AMER CHEMICAL SOC. - 0020-1669 .- 1520-510X. ; 58:2, s. 1100-1106
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Tidskriftsartikel (refereegranskat)abstract
- Nanolamellar transition metal carbides are gaining increasing interests because of the recent developments of their twodimensional (2D) derivatives and promising performance for a variety of applications from energy storage, catalysis to transparent conductive coatings, and medicine. To develop more novel 2D materials, new nanolaminated structures are needed. Here we report on a tungsten based nanolaminated ternary phase, (W,Ti)(4)C4-x, synthesized by an Al catalyzed reaction of W, Ti, and C powders at 1600 degrees C for 4 h, under flowing argon. X-ray and neutron diffraction, along with Z-contrast scanning transmission electron microscopy, were used to determine the atomic structure, ordering, and occupancies. This phase has a layered hexagonal structure (P6(3)/mmc) with lattice parameters, a = 3.00880(7) angstrom, and c = 19.5633(6) angstrom and a nominal chemistry of (W,Ti)(4)C4-x (actual chemistry, W2.1(1)Ti1.6(1)C2.6(1)). The structure is comprised of layers of pure W that are also twin planes with two adjacent atomic layers of mixed W and Ti, on either side. The use of Al as a catalyst for synthesizing otherwise difficult to make phases, could in turn lead to the discovery of a large family of nonstoichiometric ternary transition metal carbides, synthesized at relatively low temperatures and shorter times.
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| 3. |
- Anasori, Babak, et al.
(författare)
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Experimental and theoretical characterization of ordered MAX phases Mo2TiAlC2 and Mo2Ti2AlC3
- 2015
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Ingår i: Journal of Applied Physics. - : AMER INST PHYSICS. - 0021-8979 .- 1089-7550. ; 118:9, s. 094304-
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Tidskriftsartikel (refereegranskat)abstract
- Herein, we report on the phase stabilities and crystal structures of two newly discovered ordered, quaternary MAX phases-Mo2TiAlC2 and Mo2Ti2AlC3-synthesized by mixing and heating different elemental powder mixtures of mMo:(3-m) Ti:1.1Al:2C with 1.5 less than= m less than= 2.2 and 2Mo: 2Ti:1.1Al:2.7C to 1600 degrees C for 4 h under Ar flow. In general, for m greater than= 2 an ordered 312 phase, (Mo2Ti) AlC2, was the majority phase; for mless than 2, an ordered 413 phase (Mo2Ti2)AlC3, was the major product. The actual chemistries determined from X-ray photoelectron spectroscopy (XPS) are Mo2TiAlC1.7 and Mo2Ti1.9Al0.9C2.5, respectively. High resolution scanning transmission microscopy, XPS and Rietveld analysis of powder X-ray diffraction confirmed the general ordered stacking sequence to be Mo-Ti-Mo-Al-Mo-Ti-Mo for Mo2TiAlC2 and Mo-Ti-Ti-Mo-Al-Mo-Ti-Ti-Mo for Mo2Ti2AlC3, with the carbon atoms occupying the octahedral sites between the transition metal layers. Consistent with the experimental results, the theoretical calculations clearly show that M layer ordering is mostly driven by the high penalty paid in energy by having the Mo atoms surrounded by C in a face-centered configuration, i.e., in the center of the Mn+1Xn blocks. At 331 GPa and 367 GPa, respectively, the Youngs moduli of the ordered Mo2TiAlC2 and Mo2Ti2AlC3 are predicted to be higher than those calculated for their ternary end members. Like most other MAX phases, because of the high density of states at the Fermi level, the resistivity measurement over 300 to 10K for both phases showed metallic behavior. (C) 2015 AIP Publishing LLC.
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| 4. |
- Bentzel, Grady W., et al.
(författare)
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High-Temperature Neutron Diffraction, Raman Spectroscopy, and First-Principles Calculations of Ti3SnC2 and Ti2SnC
- 2016
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Ingår i: Journal of The American Ceramic Society. - : WILEY-BLACKWELL. - 0002-7820 .- 1551-2916. ; 99:7, s. 2233-2242
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Tidskriftsartikel (refereegranskat)abstract
- Herein, we report-for the first time-on the additive-free bulk synthesis of Ti3SnC2. A detailed experimental study of the structure of the latter together with a secondary phase, Ti2SnC, is presented through the use of X-ray diffraction (XRD), and high-resolution transmission microscopy (HRTEM). A previous sample of Ti3SnC2, made using Fe as an additive and Ti2SnC as a secondary phase, was studied by high-temperature neutron diffraction (HTND) and XRD. The room-temperature crystallographic parameters of the two MAX phases in the two samples are quite similar. Based on Rietveld analysis of the HTND data, the average linear thermal expansion coefficients of Ti3SnC2 in the a and c directions were found to be 8.5 (2).10(-6) K-1 and 8.9 (1) . 10(-6) K-1, respectively. The respective values for the Ti2SnC phase are 10.1 (3) . 10(-6) K-1 and 10.8 (6) . 10(-6) K-1. Unlike other MAX phases, the atomic displacement parameters of the Sn atoms in Ti3SnC2 are comparable to those of the Ti and C atoms. When the predictions of the atomic displacement parameters obtained from density functional theory are compared to the experimental results, good quantitative agreement is found for the Sn atoms. In the case of the Ti and C atoms, the agreement is more qualitative. We also used first principles to calculate the elastic properties of both Ti2SnC and Ti3SnC2 and their Raman active modes. The latter are compared to experiment and the agreement was found to be good.
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| 5. |
- Halim, Joseph, et al.
(författare)
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Structure and thermal expansion of (Cr-x,V1-x)(n+1)AlCn phases measured by X-ray diffraction
- 2017
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Ingår i: Journal of the European Ceramic Society. - : ELSEVIER SCI LTD. - 0955-2219 .- 1873-619X. ; 37:1, s. 15-21
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Tidskriftsartikel (refereegranskat)abstract
- MAX phases in the (Crx,V1-x)(n+1)AlCn,system were synthesized by reactive sintering or hot isostatic pressing of elemental powders at temperatures between 1400 degrees C and 1600 degrees C. For n=1, a complete range (0 amp;lt;= x amp;lt;= 1) of solid solutions was found; for n=2 and 3 the solubility ranges were 0.25 amp;lt;= x amp;lt;= 0.75 and 0 amp;lt;= x amp;lt;= 0.5, respectively. Powder X-ray diffraction revealed that the lattice parameters of all (Cr-x,V1-x)(n+1)AlCn solid solutions followed Vegards law. The thermal expansion coefficients of the various compounds were determined from Rietveld refinements of X-Ray patterns obtained at temperatures between ambient and 800 degrees C. For the n=1 and 3 phases the thermal expansion coefficients were almost isotropic; those for the n=2, however, were quite anisotropic with the expansion along the a-axis being significantly larger than along the c-axis. As a general trend, vanadium rich compounds have smaller thermal expansion coefficients than their Cr-rich counterparts. (C) 2016 Elsevier Ltd. All rights reserved.
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| 6. |
- Nikolaevsky, Mark, et al.
(författare)
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Possible monoclinic distortion of Mo2GaC under high pressure
- 2020
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Ingår i: Journal of Applied Physics. - : AMER INST PHYSICS. - 0021-8979 .- 1089-7550. ; 127:14
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Tidskriftsartikel (refereegranskat)abstract
- In this work, we present high-pressure diffraction results of the Mo-based M-n (+) (1)AX(n) phase, Mo2GaC. A diamond anvil cell was used to compress the material up to 30 GPa, and x-ray diffraction was used to determine the structure and unit cell parameters as a function of pressure. Somewhat surprisingly, we find that, at 295 +/- 25 GPa, the bulk modulus of Mo2GaC is the highest reported of all the MAX phases measured to date. The c/a ratio increases with increasing pressure. At above 15 GPa, a splitting in the (1 0 0) reflection occurs. This result, coupled with new density functional theory calculations, suggests that a second order phase transition to possibly a mixture of hexagonal and monoclinic structures may explain this splitting. Such experimentally and theoretically supported phase transitions were not predicted in previously published calculations.
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| 7. |
- Tunca, Bensu, et al.
(författare)
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Compatibility of Zr2AlC MAX phase-based ceramics with oxygen-poor, static liquid lead-bismuth eutectic
- 2020
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Ingår i: Corrosion Science. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0010-938X .- 1879-0496. ; 171
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Tidskriftsartikel (refereegranskat)abstract
- This work investigates the compatibility of Zr2AlC MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local Zr2AlC/LBE interaction. The ceramics were exposed to oxygen-poor (C-O <= 2.2 x 10(-10) mass%), static liquid LBE at 500 degrees C for 1000 h. A new Zr-2(Al,Bi,Pb)C MAX phase solid solution formed in-situ in the LBE-affected Zr2AlC grains. Out-of-plane ordering was favorable in the new solid solution, whereby A-layers with high and low-Bi/Pb contents alternated in the crystal structure, in agreement with first-principles calculations. Bulk Zr-2(Al,Bi,Pb)C was synthesized by reactive hot pressing to study the crystal structure of the solid solution by neutron diffraction.
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