Recent progress on the hydrogen storage properties of ZrCo-based alloys applied in International Thermonuclear Experimental Reactor (ITER)

Wang, Feng; Li, Rongfeng; Ding, Cuiping; Tang, Wukui; Wang, Yibo; Xu, Sun; Yu, Ronghai; Wu, Ying

doi:10.1016/j.pnsc.2016.12.018

Cited by 32 publications

(11 citation statements)

References 36 publications

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“…The alloy with small lattice parameters and cell volume tends to form higher plateau pressures for dehydrogenation 9,36 . Nevertheless, the increase in plateau pressure during dehydrogenation decreases the stability of hydride, thus reducing its dehydrogenation temperature, which effectively prevents disproportionation owing to the high temperature 26,27,37,38 . Lattice alteration via element doping can be applied to improve the cycling properties of the ZrCo alloy 16 .…”

Section: Introductionmentioning

confidence: 99%

“…9,36 Nevertheless, the increase in plateau pressure during dehydrogenation decreases the stability of hydride, thus reducing its dehydrogenation temperature, which effectively prevents disproportionation owing to the high temperature. 26,27,37,38 Lattice alteration via element doping can be applied to improve the cycling properties of the ZrCo alloy. 16 Hence, it is of significance to choose the replacement element to optimize the properties of the ZrCo alloy.…”

Section: Introductionmentioning

confidence: 99%

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Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Liang

Wang

et al. 2022

Intl J of Energy Research

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Summary To improve the kinetic properties of the ZrCo alloy, Zr50‐xVxCo50 (x = 0, 2.5, 3.5, and 5.0) samples were fabricated by vacuum arc‐melting. The effects of the V substitution on the microstructure, hydrogen absorption/desorption kinetics, cycling stability, and antidisproportionation properties of ZrCo were systematically investigated. X‐ray diffraction results show that the Zr50‐xVxCo50 (x = 2.5, 3.5, and 5.0) alloys consisted of ZrCo phase and ZrV0.24Co1.76 second phase. The lattice parameter and cell volume gradually decreased with the increase in the V content. The initial activation behavior was improved for the Zr50‐xVxCo50 (x = 2.5, 3.5, and 5.0) samples because of the catalytic effect of the ZrV0.24Co1.76 second phase. Additionally, the equilibrium pressure of hydrogen absorption increased and the plateau width decreased with the increase in the V content. To obtain thermodynamic and kinetic data, ΔH and Ea were calculated using the Van't Hoff equation and Kissinger equation. ΔH of the Zr50‐xVxCo50 (x = 0, 2.5, 3.5, and 5.0)‐H system was reduced from 90.12 to 72.52 kJ·mol−1, while Ea of ZrCoH3 decreased from 113.38 ± 4.2 to 94.13 ± 2.9 kJ·mol−1 for hydrogen desorption, which is beneficial for the hydrogenation/dehydrogenation reaction. Furthermore, the cycling stability and antidisproportionation properties were enhanced after the V addition, particularly for the Zr47.5V2.5Co50 alloy exhibiting an excellent initial activation behavior.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Liang

Wang

et al. 2022

Intl J of Energy Research

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“…In the international thermonuclear experimental reactor (ITER) project, the intermetallic compound ZrCo is intended to replace uranium for the storage and delivery of tritium. [1] Fe substitution for Co can enhance the durability against the hydrogen-induced disproportionation, which makes it more favorable to store tritium. [2] And cobalt, iron and zirconium are the principal elements in amorphous alloys [3][4][5][6] and high-entropy alloys.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Descriptions of the Co–Zr and Co–Fe–Zr Systems

Zhou

Wang

2021

J. Phase Equilib. Diffus.

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The Co-Fe-Zr system and its Co-Zr subsystem were optimized using the CALculation of PHAse Diagram (CALPHAD) approach. The substitutional solution model was used for describing the phases liquid, fcc_A1, bcc_A2 and hcp_A3. Two Laves phases were modeled as (Co,Fe,Zr) 2 (Co,Fe,Zr) 1 , and the phases CoFe and CoZr with the bcc_B2 crystal structure were described as the ordered one of bcc_A2 in the formula (Co,Fe,Va,Zr) 0.5 (-Co,Fe,Va,Zr) 0.5 Va 3 . With limited solubility ranges, all other phases were treated as the line compounds (Co,Fe) m Zr n . An excellent agreement between the reported and calculated results was reached. The reliable thermodynamic parameters of the Co-Fe-Zr system were acquired, which can be well applied to various thermodynamic calculations and materials design.

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“…However, uranium has many defects as well, such as spontaneous combustion after the storage of T, being radioactive, and being easy to pulverize. Intermetallic alloy ZrCo is a good substitute [5][6][7][8][9][10][11]. ZrCo has a lower equilibrium pressure of T absorption and a high T absorption [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

“…Thus, alloying atoms, such as Ni, Fe, Hf, Sc, Ti, and Mn, are usually used to replace the Zr or Co atom in ZrCo to restrain the disproportionation reaction [18][19][20][21][22]. Extensive experiments have also confirmed that alloying element Ni substituting for Co can inhibit the disproportionation reaction [9,14,18,[23][24][25]. It was experimentally found that Ni substituting for Co can prevent the disproportionation reaction and increase the plateau pressure of ZrCo for releasing H at 583 K [18].…”

Section: Introductionmentioning

confidence: 99%

Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3

et al. 2021

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Intermetallic alloy ZrCo is a good material for storing tritium (T). However, ZrCo is prone to disproportionation reactions during the process of charging and discharging T. Alloying atoms are often added in ZrCo, occupying the Zr or Co site, in order to restrain disproportionation reactions. Meanwhile, T often decays into helium (He), and the purity of T seriously decreases once He escapes from ZrCo. Therefore, it is necessary to understand the influence of alloying atoms on the basic stability property of He. In this work, we perform systematical ab initio calculations to study the stability property of He in ZrCoH3 (ZrCo adsorbs the H isotope, forming ZrCoH3). The results suggest that the He atom will undergo displacements of 0.31 and 0.12 Å when it substitutes for Co and Zr, respectively. In contrast, the displacements are very large, at 0.67–1.09 Å, for He replacing H. Then, we introduce more than 20 alloying atoms in ZrCo to replace Co and Zr in order to examine the influence of alloying atoms on the stability of He at H sites. It is found that Ti, V, Cr, Mn, Fe, Zn, Nb, Mo, Tc, Ru, Ta, W, Re, and Os replacing Co can increase the substitution energy of H by the He closest to the alloying atom, whereas only Cr, Mn, Fe, Mo, Tc, Ru, Ta, W, Re, and Os replacing Co can increase the substitution energy of H by the He next closest to the alloying atom. The influence of the alloying atom substituting Zr site on the substitution energies is inconspicuous, and only Nb, Mo, Ru, Ta, and W increase the substitution energies of H by the He closest to the alloying atom. The increase in the substitution energy may suggest that these alloy atoms are conducive to fix the He atom in ZrCo and avoid the reduction in tritium purity.

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Recent progress on the hydrogen storage properties of ZrCo-based alloys applied in International Thermonuclear Experimental Reactor (ITER)

Cited by 32 publications

References 36 publications

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Thermodynamic Descriptions of the Co–Zr and Co–Fe–Zr Systems

Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3

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Recent progress on the hydrogen storage properties of ZrCo-based alloys applied in International Thermonuclear Experimental Reactor (ITER)

Cited by 32 publications

References 36 publications

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr 50‐ x V x Co 50 ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr 50‐ x V x Co 50 ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Thermodynamic Descriptions of the Co–Zr and Co–Fe–Zr Systems

Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3

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Product

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Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys

Effects of V doping on microstructure, kinetic, and thermodynamic characteristics of Zr _{50‐
x} V _x Co ₅₀ ( x = 0, 2.5, 3.5, and 5.0) hydrogen storage alloys