Nanosystem’s density functional theory study of the chlorine adsorption on the Fe(100) surface
This contribution investigates chlorine (Cl) interaction with the Fe(100) surface, with a focus on governing adsorption energies and geometrical features at the nanoscale using the density functional theory (DFT) approach. The Cl/Fe(100) system can be considered as a building block to create nanosys...
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| Auteurs principaux: | , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
De Gruyter
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/681eda1096694210bf99b8f166b80f3c |
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