Journal Article

PUBDB-2025-05190

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Low-temperature regeneration of metal hydride after impurity gas exposure

Shang, Y. (Corresponding author)Extern* ; Santhosh, A. ; Ante, M. ; Wimbert, L. ; Jerabek, P. ; Schupp, T. ; Klassen, T. ; Pistidda, C. (Corresponding author)Extern*

2025
Elsevier Science Amsterdam [u.a.]

This record in other databases:  

Please use a persistent id in citations: doi:10.1016/j.actamat.2025.121398  doi:10.3204/PUBDB-2025-05190

Abstract: Many industrial applications require hydrogen purification, and metal hydrides can serve this purpose. In this study, the effects of gaseous impurities like CO2, CH4, and O2 on the hydrogen cycling behavior of commercial Ti-Fe-Mn were carefully studied. Impurities of O2 and CO2 considerably lower the hydrogen storage capacity of the materials, whereas CH4 has a lesser effect. According to the results of the microstructural characterization, upon hydrogen cycling, a shell of oxides and carbonates forms at the Ti-Fe-Mn particles surface, acting as a barrier for the hydrogen diffusion but at the same time preventing the further interaction of the alloy core with the gaseous impurities. First-principles calculations based on density functional theory reveal that Fe-Ti-Ti threefold, Ti-Ti bridge, Mn-Ti-Ti threefold, and Fe-Ti-Ti threefold are the favored sites for the adsorption of CO2, CH4, H and O, respectively. Remarkably, the samples can be regenerated at 90 °C, a temperature so moderate that it is ideal for the practical use of the Ti-Fe-Mn hydrogen storage system.

---

Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. Helmholtz-Zentrum Hereon (Hereon)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20231121 (I-20231121) (I-20231121)

Experiment(s):

1. PETRA Beamline P02.1 (PETRA III)

Appears in the scientific report 2025

---

Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

---