TY - JOUR
T1 - Multidimensional regulation of Ti-Zr-Cr-Mn hydrogen storage alloys via Y partial substitution
AU - Xiu, Haixiang
AU - Liu, Wanqiang
AU - Yin, Dongming
AU - Ding, Nan
AU - Qiao, Wenfeng
AU - Zhao, Shaolei
AU - Liang, Long
AU - Liu, Cong
AU - Wang, Shaohua
AU - Wang, Qingshuang
AU - Chen, Bingbing
AU - Wang, Limin
AU - Cheng, Yong
N1 - Publisher Copyright:
© Tsinghua University Press 2023.
PY - 2024/5
Y1 - 2024/5
N2 - High density and safe storage of hydrogen are the preconditions for the large-scale application of hydrogen energy. Herein, the hydrogen storage properties of Ti0.6Zr0.4Cr0.6Mn1.4 alloys are systematically studied by introducing Y element instead of Ti element through vacuum arc melting. After the partial substitution of Y, a second phase of rare earth oxide is added in addition to the main suction hydrogen phase, C14 Laves phase. Thanks to the unique properties of rare earth elements, the partial substitution of Y can not only improve the activation properties and plateau pressure of the alloys, but also increase the effective hydrogen storage capacity of the alloys. The comprehensive properties of hydrogen storage alloys are improved by multidimensional regulation of rare earth elements. Among them, Ti0.552Y0.048Zr0.4Cr0.6Mn1.4 has the best comprehensive performance. The alloy can absorb hydrogen without activation at room temperature and 5 MPa, with a maximum hydrogen storage capacity of 1.98 wt.%. At the same time, it reduces the stability of the hydride and the enthalpy change value, making it easier to release hydrogen. Through theoretical analysis and first-principle simulation, the results show that the substitution of Y element reduces the migration energy barrier of hydrogen and the structural stability of the system, which is conducive to hydrogen evolution. The alloy has superior durability compared to the original alloy, and the capacity retention rate was 96.79% after 100 hydrogen absorption/desorption cycles.
AB - High density and safe storage of hydrogen are the preconditions for the large-scale application of hydrogen energy. Herein, the hydrogen storage properties of Ti0.6Zr0.4Cr0.6Mn1.4 alloys are systematically studied by introducing Y element instead of Ti element through vacuum arc melting. After the partial substitution of Y, a second phase of rare earth oxide is added in addition to the main suction hydrogen phase, C14 Laves phase. Thanks to the unique properties of rare earth elements, the partial substitution of Y can not only improve the activation properties and plateau pressure of the alloys, but also increase the effective hydrogen storage capacity of the alloys. The comprehensive properties of hydrogen storage alloys are improved by multidimensional regulation of rare earth elements. Among them, Ti0.552Y0.048Zr0.4Cr0.6Mn1.4 has the best comprehensive performance. The alloy can absorb hydrogen without activation at room temperature and 5 MPa, with a maximum hydrogen storage capacity of 1.98 wt.%. At the same time, it reduces the stability of the hydride and the enthalpy change value, making it easier to release hydrogen. Through theoretical analysis and first-principle simulation, the results show that the substitution of Y element reduces the migration energy barrier of hydrogen and the structural stability of the system, which is conducive to hydrogen evolution. The alloy has superior durability compared to the original alloy, and the capacity retention rate was 96.79% after 100 hydrogen absorption/desorption cycles.
KW - AB-type hydrogen storage alloy
KW - first-principles simulation
KW - multidimensional regulation
KW - rare earth element
UR - http://www.scopus.com/inward/record.url?scp=85183046085&partnerID=8YFLogxK
U2 - 10.1007/s12274-023-6389-0
DO - 10.1007/s12274-023-6389-0
M3 - 文章
AN - SCOPUS:85183046085
SN - 1998-0124
VL - 17
SP - 4211
EP - 4220
JO - Nano Research
JF - Nano Research
IS - 5
ER -