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First principles study of surface properties and oxygen adsorption on the surface of Al(3)Ti intermetallic alloys
The density functional theory (DFT) method was applied to study the structural, electronic and surface properties of low-index Al(3)Ti intermetallic materials. The surface energies and electronic structures of those surfaces were also discussed in this study. The calculated surface energies of the l...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059711/ https://www.ncbi.nlm.nih.gov/pubmed/35516132 http://dx.doi.org/10.1039/c8ra09175g |