Article ID Journal Published Year Pages File Type
5358233 Applied Surface Science 2015 8 Pages PDF
Abstract

- Ni doped in bulk and on the surface of AlH3 are unfavourable comparing to Ti.
- Ti and Ni prefer to substitute for Al atom in both the bulk and surface doped systems.
- Ti improves the dissociation properties of AlH3 by weakening the interactions between Al and H atoms, but the catalytic effect is weaker if Ti substitutes for Al than its interstitial doping.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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