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Co-Adsorption of H(2)O, OH, and Cl on Aluminum and Intermetallic Surfaces and Its Effects on the Work Function Studied by DFT Calculations
The energetics of adsorption of H(2)O layers and H(2)O layers partially replaced with OH or Cl on an Al(111) surface and on selected surfaces of intermetallic phases, Mg(2)Si and Al(2)Cu, was studied by first-principle calculations using the density function theory (DFT). The results show that H(2)O...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6930550/ https://www.ncbi.nlm.nih.gov/pubmed/31775242 http://dx.doi.org/10.3390/molecules24234284 |