Study of Adsorption of Hydrogen on Al, Cu, Mg, Ti Surfaces in Al Alloy Melt via First Principles Calculation
Adsorption of hydrogen on Al(111), Cu(111), Mg(0001), and Ti(0001) surfaces have been investigated by means of first principles calculation. The calculation of surface energy indicates that Mg(0001) is the most stable surface, while Ti(0001) is the most unstable surface among all the four calculated...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2017-01-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2075-4701/7/1/21 |