TY - JOUR
T1 - Hydrogen storage properties of new A3B2-type TiZrNbCrFe high-entropy alloy
AU - Floriano, Ricardo
AU - Zepon, Guilherme
AU - Edalati, Kaveh
AU - Fontana, Gabriel L.B.G.
AU - Mohammadi, Abbas
AU - Ma, Zhongliang
AU - Li, Haiwen
AU - Contieri, Rodrigo J.
N1 - Funding Information:
This work is supported in part by a grant from the Brazilian Research Funding Agency FAPESP (Regular Project No. 2018/15968-4 ), in part by a grant from the Serrapilheira Institute, Brazil (No. Serra-1709-17362 ), in part by a grant-in-aid for scientific research from the MEXT , Japan (No. 19H05176 ) and in part by the Coordination for the Improvement of Higher Education Personnel (CAPES), Brazil (Finance Code 001). Gabriel L. B. G. Fontana thanks for PIBIC/CNPq scholarship.
Publisher Copyright:
© 2021 Hydrogen Energy Publications LLC
PY - 2021/7/6
Y1 - 2021/7/6
N2 - Crystal structure and hydrogen storage properties of a novel equiatomic TiZrNbCrFe high-entropy alloy (HEA) were studied. The selected alloy, which had a A3B2-type configuration (A: elements forming hydride, B: elements with low chemical affinity with hydrogen) was designed to produce a hydride with a hydrogen-to-metal atomic ratio (H/M) higher than those for the AB2- and AB-type alloys. The phase stability of alloy was investigated through thermodynamic calculations by the CALPHAD method. The alloy after arc melting showed the dominant presence of a solid solution C14 Laves phase (98.4%) with a minor proportion of a disordered BCC phase (1.6%). Hydrogen storage properties investigated at different temperatures revealed that the alloy was able to reversibly absorb and fully desorb 1.9 wt% of hydrogen at 473 K. During the hydrogenation, the initial C14 and BCC crystal structures were fully converted into the C14 and FCC hydrides, respectively. The H/M value was 1.32 which is higher than the value of 1 reported for the AB2- and AB-type HEAs. The present results show that good hydrogen storage capacity and reversibility at moderate temperatures can be attained in HEAs with new configurations such as A3B2/A3B2H7.
AB - Crystal structure and hydrogen storage properties of a novel equiatomic TiZrNbCrFe high-entropy alloy (HEA) were studied. The selected alloy, which had a A3B2-type configuration (A: elements forming hydride, B: elements with low chemical affinity with hydrogen) was designed to produce a hydride with a hydrogen-to-metal atomic ratio (H/M) higher than those for the AB2- and AB-type alloys. The phase stability of alloy was investigated through thermodynamic calculations by the CALPHAD method. The alloy after arc melting showed the dominant presence of a solid solution C14 Laves phase (98.4%) with a minor proportion of a disordered BCC phase (1.6%). Hydrogen storage properties investigated at different temperatures revealed that the alloy was able to reversibly absorb and fully desorb 1.9 wt% of hydrogen at 473 K. During the hydrogenation, the initial C14 and BCC crystal structures were fully converted into the C14 and FCC hydrides, respectively. The H/M value was 1.32 which is higher than the value of 1 reported for the AB2- and AB-type HEAs. The present results show that good hydrogen storage capacity and reversibility at moderate temperatures can be attained in HEAs with new configurations such as A3B2/A3B2H7.
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U2 - 10.1016/j.ijhydene.2021.04.181
DO - 10.1016/j.ijhydene.2021.04.181
M3 - Article
AN - SCOPUS:85106463477
SN - 0360-3199
VL - 46
SP - 23757
EP - 23766
JO - International Journal of Hydrogen Energy
JF - International Journal of Hydrogen Energy
IS - 46
ER -
