Effectiveness of inhibitors in corrosion and hydrogen absorption of deformed iron

Shein, A. B.; Skryabina, N. E.; Khaldeev, G. V.

doi:10.1007/bf00721350

Cited by 5 publications

(10 citation statements)

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“…DE determines the stability of the MAX phases [4]. Negative DE indicates a stable MAX phase, suggesting that Ti 3 AlN 2 is unstable, which agrees quite well with experimental results [4,26].…”

Section: Phase Stabilitysupporting

confidence: 88%

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The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)

Qin

Zhang

Wang

et al. 2017

Physica Status Solidi (b)

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Ab inito calculations have been carried out to investigate the structure, phase stability, elastic and electronic properties of the solid solution of Ti3AlC2−xNx (x = 0–2), which were compared with the isostructural and already synthesized end member Ti3AlC2. The substitution of C atoms by N atoms affects the structural parameters a and c. The differences of atomic radius and the bond lengths lead to the changes of structural parameters. Results indicate that Ti3AlCN has the lowest formation energy among the solid solutions, and from the calculation of the cohesive energy, it is found that the stabilities of Ti3AlC2−xNx (x = 0–2) decrease as more N atoms substitute C atoms. The elastic moduli increase as more C atoms are replaced with N atoms. As x increases, Ti3AlC2−xNx solid solutions become stiffer than Ti3AlC2. The calculated density of states suggests that the conductivity of Ti3AlC2−xNx originates from the Ti‐3d contribution and the electrical conductivity becomes higher as more N atoms substitute C atoms.

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Section: Phase Stabilitysupporting

confidence: 88%

“…Formation energy (per formula unit) and cohesive energy (per atom) of Ti 3 AlC 2Àx N x (x ¼ 0-2). AlC þ TiC À0.010 (À0.031[4], À0.15[26]) À6.90 (À6.71[26], À6.93[32])…”

mentioning

confidence: 99%

The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)

Qin

Zhang

Wang

et al. 2017

Physica Status Solidi (b)

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“…Our results are in good agreement with previous works except for those from ref. 42 and ref. 43 (see Table 1).…”

Section: Resultsmentioning

confidence: 86%

Monolayer MXenes: promising half-metals and spin gapless semiconductors

et al. 2016

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Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. Based on recent experimental and theoretical findings of graphene-like monolayer transition metal carbides and nitrides (also known as MXenes), we demonstrate using first-principles calculations that monolayers Ti2C and Ti2N exhibit nearly half-metallic ferromagnetism with the magnetic moments of 1.91 and 1.00μB per formula unit, respectively, while monolayer V2C is a metal with unstable antiferromagnetism, and monolayer V2N is a nonmagnetic metal. Interestingly, under a biaxial strain, there is a phase transition from a nearly half-metal to truly half-metal, spin gapless semiconductor, and metal for monolayer Ti2C. Monolayer Ti2N is still a nearly half-metal under a suitable biaxial strain. Large magnetic moments can be induced by the biaxial tensile and compressive strains for monolayer V2C and V2N, respectively. We also show that the structures of these four monolayer MXenes are stable according to the calculated formation energy and phonon spectrum. Our investigations suggest that, unlike monolayer graphene, monolayer MXenes Ti2C and Ti2N without vacancy, doping or external electric field exhibit intrinsic magnetism, especially the half-metallic ferromagnetism and spin gapless semiconductivity, which will stimulate further studies on possible spintronic applications for new two-dimensional materials of MXenes.

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“…The experimentally observed magnetic moment for Ti3C2 is 1.87 µB. [33,34] Spin-up and Spin-down probably indicates the anti-ferromagnetic behavior of Ti3C2 while the spin-up behavior of Carbon and terminations (Tx = _ O, _ OH and _ F) attached with it exhibits an out-of-plan vibration which creates a weak ferromagnetic effect at the edges and surface. [35] Probably, the ferromagnetic domains can also be generated by defects or impurities like aluminium particles trapped in Otermination in the form of Al2O3.…”

Section: Co-existence Of Magnetic Phasesmentioning

confidence: 95%

“…It was mentioned that there develops a considerable amount of electronic density of states near Fermi energy compared to the MAX phase due to redistribution of Ti-3d states from broken Al-Ti bonds. [34] This results in enhanced Ti-Ti bonding states near Fermi level. The Ti atoms on external sheet possess ferromagnetic ordering of spin-moments whereas they connect antiferromagnetically with opposite sheet containing titanium making it a mixture of FM-AFM phases.…”

Section: Co-existence Of Magnetic Phasesmentioning

confidence: 99%

Co-existence of magnetic phases in two-dimensional MXene

Iqbal

Fatheema

Noor

et al. 2020

Materials Today Chemistry

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This study reports first synthesis of MXene-derived co-existing phases. New family of two-dimensional materials such as Ti3C2 namely MXene, having transition metal forming hexagonal structure with carbon atoms have attracted tremendous interest now a days. We have reported structural, optical and magnetic properties of undoped and La-doped Ti3C2Tx MXene synthesized using co-precipitation method. The c-lattice parameters (c-LP) calculated for La-MXene is c=18.3Å which is slightly different from the parent un-doped MXene (c=19.2Å), calculated from X-ray diffraction data. The doping of La +3 ions shrinks Ti3C2Tx layers perpendicular to the planes but expands slightly the in-plane lattice parameters. The band gap for MXene is calculated to be 1.06 eV which is increased to 1.44 eV after the doping of La +3 ion that shows its good semiconducting nature. The experimental results for magnetic properties of both the samples have been presented and discussed, indicating the presence of ferromagnetic-antiferromagnetic phases co-existing. The results presented here are unique and first report on magnetic properties of two-dimensional carbides for magnetic data storage applications.

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Effectiveness of inhibitors in corrosion and hydrogen absorption of deformed iron

Cited by 5 publications

References 1 publication

The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)

The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)

Monolayer MXenes: promising half-metals and spin gapless semiconductors

Co-existence of magnetic phases in two-dimensional MXene

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Effectiveness of inhibitors in corrosion and hydrogen absorption of deformed iron

Cited by 5 publications

References 1 publication

The influence of N content on structure, phase stability, elastic and electronic properties in Ti3AlC2−xNx (x = 0–2)

The influence of N content on structure, phase stability, elastic and electronic properties in Ti3AlC2−xNx (x = 0–2)

Monolayer MXenes: promising half-metals and spin gapless semiconductors

Co-existence of magnetic phases in two-dimensional MXene

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Product

Resources

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The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)

The influence of N content on structure, phase stability, elastic and electronic properties in Ti₃AlC_2−xN_x (x = 0–2)