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...

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Detalles Bibliográficos
Autores principales: Liu, Min, Jin, Ying, Pan, Jinshan, Leygraf, Christofer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6930550/
https://www.ncbi.nlm.nih.gov/pubmed/31775242
http://dx.doi.org/10.3390/molecules24234284

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