Role of Mn-substitution towards the enhanced hydrogen storage performance in FeTi

Padhee, Satya Prakash; Roy, Amritendu; Pati, Soobhankar

doi:10.1016/j.ijhydene.2022.01.032

Cited by 10 publications

(2 citation statements)

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“…Manganese doping is a commonly employed technique in metal hydrides to enhance their efficiency in various mobile and stationary applications by improving the ability of reversible storage of hydrogen [19]. As an example, the reduced rate of Mn, the simpler activation, and the decrease in the equilibrium pressure (for desorption, with 0.41 MPa to 0.26 MPa at 25 • C) with a marginally lower hysteresis (from 0.64 to 0.62 MPa) have all contributed to the Mn substitution's increased appeal in hydrides composition [62][63][64].…”

Section: Introductionmentioning

confidence: 99%

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Belkhiria,

Alsawi,

Briki

et al. 2024

Materials

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The results of an experimental and mathematical study into the MmNi4.2Mn0.8 compound’s hydrogen storage properties are presented in the present research. Plotting and discussion of the experimental isotherms (P-C-T) for different starting temperatures (288 K, 298 K, 308 K, and 318 K) were carried out first. Then, the enthalpy and entropy of formation (ΔH0, ΔS0) were deduced from the plot of van’t Hoff. Following that, the P-C-T were contrasted with a mathematical model developed via statistical physics modeling. The steric and energetic parameters, such as the number of the receiving sites (n1, n2), their densities (Nm1, Nm2), and the energy parameters (P1, P2) of the system, were calculated thanks to the excellent agreement between the numerical and experimental results. Therefore, plotting and discussing these parameters in relation to temperature preceded their application in determining the amount of hydrogen in each type of site per unit of metal ([H/M]1, [H/M]2) as well as for the entire system [H/M] versus temperature and pressure besides the absorption energies associated with each kind of site (ΔE1, ΔE2) and the thermodynamic functions (free energy, Gibbs energy, and entropy) that control the absorption reaction.

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Section: Introductionmentioning

confidence: 99%

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Belkhiria,

Alsawi,

Briki

et al. 2024

Materials

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“…Up to now, FeTi alloys have been widely studied by researchers in terms of hydrogen storage, and many research results have been obtained through theory and experiments [7][8][9][10][11]. Padhee et al [12] studied the relation of Mn addition in FeTi alloys and hydrogen storage capacity. They adopted density functional theory (DFT) calculations to explore the thermodynamic and kinetic properties of hydrogen absorption in unprocessed and doped FeTi, and the experiment results revealed that Mn addition was beneficial to the retention of hydrogen capacity, which is conducive to the practical application of FeTi alloys.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure

Zhang,

Chen,

Wang

et al. 2023

Metals

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The influences of applied pressure on the structure, mechanics, dislocation, and electronics properties of an FeTi hydrogen storage alloy are theoretically investigated via first-principles calculations. The lattice parameter ratio, elastic constant, Young’s modulus, bulk modulus, shear modulus, ductile/brittle, Poisson’s ratio, anisotropy, Cauchy pressure, yield strength, Vickers hardness and energy factor are discussed versus applied pressure. The results show that the FeTi alloy exhibits good mechanical stability under applied pressure between 0 and 50 GPa, and the mechanical properties are significantly improved under applied pressure, like the resistances to elastic, bulk, and shear deformations, the material ductility and metallicity, as well as Vickers hardness and yield strength. Moreover, the electronic structures reveal that the FeTi alloy has metallic properties and the structural stability of the FeTi hydrogen storage alloy is enhanced at high pressure. This work provides significant value for high-pressure applications of FeTi alloys in hydrogen storage and supply fields.

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Intermetallic Compound TiM (M=Co, Fe) with a Layered Structure Prepared by Deoxidizing Ilmenite‐type Oxides in Molten LiCl‐CaH₂ Mixtures

Kobayashi

Nagaura

Azhar

et al. 2023

Chemistry A European J

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CsCl‐type intermetallic compounds TiM (M=Co, Fe) were obtained by deoxidizing trigonal ilmenite‐type MTiO3 with a reducing agent CaH2 in molten LiCl at 600 °C. X‐ray diffraction, nitrogen adsorption, scanning electron microscopy, and transmission electron microscopy with energy‐dispersive X‐ray, and X‐ray photoelectron spectroscopy analyses revealed the formation of nanoscale layered structures, which enhanced specific surface areas (approximately 20 m2/g) in the intermetallic compounds. In the initial deoxidation stage, Li2TiO3‐like compounds were observed as an intermediate, suggesting the substitution of M in MTiO3 by Li from the molten LiCl. Compound MTiO3 has a layered structure perpendicular to the c axis of the trigonal structure, suggesting that the layered structures may originate from the crystal structure of the precursors. Formation of the Li2TiO3‐like intermediate may help maintain the original layered structure during deoxidation and the subsequent alloying at temperatures as low as 600 °C.

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Role of Mn-substitution towards the enhanced hydrogen storage performance in FeTi

Cited by 10 publications

References 73 publications

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure

Intermetallic Compound TiM (M=Co, Fe) with a Layered Structure Prepared by Deoxidizing Ilmenite‐type Oxides in Molten LiCl‐CaH₂ Mixtures

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Role of Mn-substitution towards the enhanced hydrogen storage performance in FeTi

Cited by 10 publications

References 73 publications

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Physical Analysis and Mathematical Modeling of the Hydrogen Storage Process in the MmNi4.2Mn0.8 Compound

Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure

Intermetallic Compound TiM (M=Co, Fe) with a Layered Structure Prepared by Deoxidizing Ilmenite‐type Oxides in Molten LiCl‐CaH2 Mixtures

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Product

Resources

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Intermetallic Compound TiM (M=Co, Fe) with a Layered Structure Prepared by Deoxidizing Ilmenite‐type Oxides in Molten LiCl‐CaH₂ Mixtures