Ab initio studies of pristine and oxidized CuAu(100) and (111) surfaces

Leitão, Alexandre; Moreira, M.; Dias, L.; Silva, Alexander; Capaz, Rodrigo; Achete, C.
November 2012
Journal of Materials Science;Nov2012, Vol. 47 Issue 21, p7594
Academic Journal
We review the previous literature and our recent work on first-principles studies of CuAu(100) and (111) surfaces, with focus on the segregation of atomic species to the surface at pristine conditions and in the presence of oxygen. In particular, the combined use of experimental and theoretical tools to achieve chemical identification at an atomic level of the surface species is emphasized and discussed.


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