Journal
APPLIED SCIENCES-BASEL
Volume 11, Issue 18, Pages -Publisher
MDPI
DOI: 10.3390/app11188349
Keywords
neutron diffraction; X-ray diffraction; anomalous X-ray scattering; X-ray absorption fine structure; hydrogen storage; hydride complex
Categories
Funding
- JSPS KAKENHI [23686101, 24241034, 15K13810, 19K12650, JP18H05518]
- Inter-University Cooperative Research Program of the Institute for Materials Research, Tohoku University [15K0110]
- Grants-in-Aid for Scientific Research [23686101, 15K13810, 19K12650] Funding Source: KAKEN
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The study revealed the mechanism of catalyzing Al-Ti alloy in NaAlH4 with TiCl3, indicating that Al was partially substituted by Ti during the first desorption process, leading to the formation of highly dispersed nanosized Al-Ti alloy.
The hydrogen desorption and absorption reactions of the complex metal hydride NaAlH4 are disproportionation processes, and the kinetics can be improved by adding a few mol% of Ti compounds, although the catalytic mechanism, including the location and state of Ti, remains unknown. In this study, we aimed to reveal the generating mechanism of catalytic Al-Ti alloy in NaAlH4 with TiCl3 using quantum multiprobe techniques such as neutron diffraction (ND), synchrotron X-ray diffraction (XRD), anomalous X-ray scattering (AXS), and X-ray absorption fine structure (XAFS). Rietveld refinements of the ND and XRD, profiles before the first desorption of NaAlD(H)(4)-0.02TiCl(3) showed that Al in NaAlD(H)(4) was partially substituted by Ti. On the other hand, Ti was not present in NaAlH4, and Al-Ti nanoparticles were detected in the XRD profile after the first re-absorption. This was consistent with the AXS and XAFS results. It is suggested that the substitution promotes the formation of a highly dispersed nanosized Al-Ti alloy during the first desorption process and that the effectiveness of TiCl3 as an additive can be attributed to the dispersion of Ti.
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