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  • MAX phase materials are novel layered carbon-nitride inorganic non-metallic materials with the electrical and thermal conductive qualities of metals Wurtzite Boron Nitride (wBN) is a wide band gap BN polymorph with unique mechanical properties such as hardness and stiffness. Initially synthesized in 1963 by transforming hexagonal BN (hBN) under high temperature and pressure conditions, wBN can now be stabilized at atmospheric pressure to obtain high-quality samples. Our first-principles study investigates the electronic, vibrational, and optical properties of wBN across a broad range of pressures. We account for the electron-hole interaction What is Wurtzite Boron Nitride?Wurtzite Boron Nitride (wBN) is a wide band gap BN polymorph with unique mechanical properties such as hardness and stiffness. Initially synthesized in 1963 by transforming hexagonal BN (hBN) under high temperature and pressure conditions, wBN can now be stabilized at atmospheric pressure to obtain high-quality samples. Our first-principles study investigates the electronic, vibrational, and optical properties of wBN across a broad range of pressures. We account fo The structure and phase composition of colloidal SPM Fe3O4 NPs remains puzzling despite the availability of increasing amounts of structural information. Various spectroscopic measurements have shown that the structure of SPM Fe3O4 NPs can be described as a magnetite core with a thin overoxidized (Fe3+) surface shell, which is compositionally close to a maghemite polymorph (γ-Fe2O3).9a, Conversely, the putative Fe3O4@γ-Fe2O3 core−shell structure has not been observed by X-ray diffraction or elec The pressure-induced transformation of the rare β-Fe2O3 phase has been studied for the first time, leading to the identification of a new iron(III) oxide polymorph, ζ-Fe2O3. The transformation of β-Fe2O3 into ζ-Fe2O3 occurs above 30 GPa, and the new phase withstands pressures of up to ~70 GPa, which is well above the thresholds for the pressure-induced transformations of α-Fe2O3 or γ-Fe2O3. More strikingly, ζ-Fe2O3 remains stable after pressure release and at room temperature. This remarkable ob No iron(III) oxide phase with a monoclinic crystal structure stable at atmospheric pressure and room temperature has ever been identified. Thus, ζ-Fe2O3 can be regarded as a new iron(III) oxide polymorphic family member. It is known that the stability of nanoscale Fe2O3 polymorphs is governed by two factors: the Gibbs free energy of the different i-Fe2O3 phases (i = α, β, γ, ε) and the energy barrier associated with the phase transformation. These two parameters, in turn, depend on many factors, Spark Plasma Sintering and Hot Isostatic Pressing were used to synthesize coarse-grained and fine-grained Ti3AlC2 specimens. Moreover, Spark Plasma Sintering processing parameters were modified to vary the TiC, Al2O3, and TixAly impurity and porosity in the fine-grained samples. The influence of the Ti3AlC2 microstructure on the oxidation resistance was assessed. It is demonstrated that the grain size can drastically modify the oxidation resistance. The higher density of grain boundaries in fine We synthesized the Ti3AlC2 MAX phase by a ceramic synthesis route and confirmed its structure by X-ray diffraction (see the Supporting Information for full experimental details). It consists of a c-axis stacking sequence where two layers of edge-sharing CTi6 octahedra are sandwiched between planar layers of Al. The butane ODH study with Ti3AlC2 was carried out at different temperatures, varying the O2:butane ratio from 0.25:1 up to 1:1. The product mixture contained 1-butene, 2-butene, butadiene Ti3AlC2, the first MAX phase to be used in heterogeneous catalysis, efficiently catalyzes the oxidative dehydrogenation (ODH) of n-butane to butenes and butadiene, owing to its defective structure and non-stoichiometric oxide layer on the surface. Dehydrogenation or oxidative dehydrogenation (ODH) of alkanes to produce alkenes directly from natural gas/shale gas is gaining importance. Ti3AlC2, a MAX phase that had not been used in catalysis, efficiently catalyzes the ODH of n-butane to butenes a What is Ti3AlC2?Ti₃AlC₂ is MAX Phase-like structured and crystallizes in the hexagonal P6₃/mmc space group. There are two inequivalent Ti sites. Ti is bonded in a 3-coordinate geometry in the first Ti site to three equivalent Al and three equivalent C atoms. All Ti–Al bond lengths are 2.89 Å. Titanium carbide is used to prepare cermets, frequently used to machine steel materials at high cutting speeds. Ti 3 AlC 2 has the Ti 3 SiC 2 structure with lattice parameters of a=0.3075 nm and c=1.858 nm.

What is MAX/MXene phase material?

MAX phase materials are novel layered carbon-nitride inorganic non-metallic materials with the electrical and thermal conductive qualities of metals…

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Nonreversible Transition from the Hexagonal to Wurtzite Phase of Boron Nitride

Wurtzite Boron Nitride (wBN) is a wide band gap BN polymorph with unique mechanical properties such as hardness and stiffness. Initially synthesized in 1963 by transforming hexagonal BN (hBN) under high temperature and pressure conditions, wBN can no...…

More>>

Wurtzite Boron Nitride Crystal Growth in the Region of Cubic Boron Nitride Crystal Synthesizing

What is Wurtzite Boron Nitride?Wurtzite Boron Nitride (wBN) is a wide band gap BN polymorph with unique mechanical properties such as hardness and stiffness. Initially synthesized in 1963 by transforming hexagonal BN (hBN) under high temperature and ...…

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The structure and phase composition of colloidal SPM Fe3O4 NPs

The structure and phase composition of colloidal SPM Fe3O4 NPs remains puzzling despite the availability of increasing amounts of structural information. Various spectroscopic measurements have shown that the structure of SPM Fe3O4 NPs can be describ...…

More>>

The pressure induced transformation of the rare β Fe2O3 phase

The pressure-induced transformation of the rare β-Fe2O3 phase has been studied for the first time, leading to the identification of a new iron(III) oxide polymorph, ζ-Fe2O3. The transformation of β-Fe2O3 into ζ-Fe2O3 occurs above 30 GPa, and the new ...…

More>>

Iron(III) oxide phase with a monoclinic crystal structure

No iron(III) oxide phase with a monoclinic crystal structure stable at atmospheric pressure and room temperature has ever been identified. Thus, ζ-Fe2O3 can be regarded as a new iron(III) oxide polymorphic family member. It is known that the stabilit...…

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Microstructure oxidation resistance relationship in Ti3AlC2 MAX Phase

Spark Plasma Sintering and Hot Isostatic Pressing were used to synthesize coarse-grained and fine-grained Ti3AlC2 specimens. Moreover, Spark Plasma Sintering processing parameters were modified to vary the TiC, Al2O3, and TixAly impurity and porosity...…

More>>

Synthesized the Ti3AlC2 MAX phase

We synthesized the Ti3AlC2 MAX phase by a ceramic synthesis route and confirmed its structure by X-ray diffraction (see the Supporting Information for full experimental details). It consists of a c-axis stacking sequence where two layers of edge-shar...…

More>>

The Ti3AlC2 MAX Phase as an Efficient Catalyst

Ti3AlC2, the first MAX phase to be used in heterogeneous catalysis, efficiently catalyzes the oxidative dehydrogenation (ODH) of n-butane to butenes and butadiene, owing to its defective structure and non-stoichiometric oxide layer on the surface. De...…

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Effect of Ti3AlC2 MAX Phase on Structure

What is Ti3AlC2?Ti₃AlC₂ is MAX Phase-like structured and crystallizes in the hexagonal P6₃/mmc space group. There are two inequivalent Ti sites. Ti is bonded in a 3-coordinate geometry in the first Ti site to three equivalent Al and three equivalent ...…

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Hydrated iron oxides

What is Iron oxide?Iron(III) oxide is also used as a pigment under the names "Pigment Brown 6", "Pigment Brown 7", and "Pigment Red 101". Some of them, e.g., Pigment Red 101 and Pigment Brown 6, are approved by the US Food and Drug Administration (FD...…

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Alpha phase of Iron oxide

What is Iron oxide?Iron(III) oxide or ferric oxide is an inorganic compound with the formula Fe2O3. It is one of the three main oxides of iron, the other two being iron(II) oxide (FeO), which is rare, and iron(II, III) oxide (Fe3O4), which also occur...…

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