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Effects of aluminum diffusion on the adhesive behavior of the Ni(111)/Cr2O3(0001) interface: First principle study.
- Source :
-
Computational Materials Science . Oct2013, Vol. 78, p116-122. 7p. - Publication Year :
- 2013
-
Abstract
- Highlights: [•] Five Ni(111)/Cr2O3(0001) models were studied by using first-principles method. [•] O-terminated Cr2O3(0001) slabs is more active than Cr-terminated slabs. [•] Al atoms in Ni slab would diffuse into Cr2O3 slabs. [•] The Ni/Al2O3/Cr2O3 structure has better stability than that of Ni/Cr2O3. [Copyright &y& Elsevier]
- Subjects :
- *ALUMINUM
*DIFFUSION
*ADHESIVES
*NICKEL
*CHROMIUM oxide
*SURFACE chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 09270256
- Volume :
- 78
- Database :
- Academic Search Index
- Journal :
- Computational Materials Science
- Publication Type :
- Academic Journal
- Accession number :
- 89339815
- Full Text :
- https://doi.org/10.1016/j.commatsci.2013.05.037