Study on the geometric structure and stability of AlnMgn (n = 2–12) clusters using density functional theory
In this study, density functional theory was used to investigate the Al _n Mg _n (n = 2–12) clusters on a microscopic scale. The stable structure of clusters was determined and used as the interaction energies parameter in Wilson equation to deepen the activity prediction of the Wilson equation. The...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2021-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/abe220 |