Issue 18, 2023

Understanding and unlocking the role of V in boosting the reversible hydrogen storage performance of MgH2

Abstract

Although MgH2 is widely regarded as one of the most promising solid-state hydrogen storage materials, the high operating temperature and sluggish kinetics of hydrogenation and dehydrogenation are major challenges for its practical application. Herein, V6O13 nanobelts with a thickness of 11 nm are fabricated to promote the reversible hydrogen storage performance of MgH2. The favorable interaction between V6O13 nanobelts and MgH2 leads to in situ homogeneous formation of metallic V during the initial dehydrogenation of MgH2. Induced by the catalysis of metallic V, which results in weaker structural stability and higher surface states of MgH2 attributed to the strong bonding interactions between V and H, the energy required for H2 desorption from MgH2 is decreased to 49.5 kJ mol−1, 10.9 kJ mol−1 lower than that of pristine MgH2. Moreover, during the reversible hydrogenation process, the catalysis of metallic V lowers the energy for H2 adsorption and dissociation on Mg down to −5.904 and 0.023 eV, respectively, while those values reach −0.086 and 1.103 eV for pristine Mg. As a result, with the introduction of V6O13 nanobelts with an ultralow content of 3 wt%, a systematic hydrogen storage capacity of 6.8 wt% could be retained at 250 °C after 10 cycles.

Graphical abstract: Understanding and unlocking the role of V in boosting the reversible hydrogen storage performance of MgH2

Supplementary files

Article information

Article type
Communication
Submitted
19 Febr. 2023
Accepted
12 Apr. 2023
First published
12 Apr. 2023

J. Mater. Chem. A, 2023,11, 9762-9771

Understanding and unlocking the role of V in boosting the reversible hydrogen storage performance of MgH2

Y. Meng, J. Zhang, S. Ju, Y. Yang, Z. Li, F. Fang, D. Sun, G. Xia, H. Pan and X. Yu, J. Mater. Chem. A, 2023, 11, 9762 DOI: 10.1039/D3TA01029E

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