In:
Solid State Phenomena, Trans Tech Publications, Ltd., Vol. 139 ( 2008-4), p. 29-34
Abstract:
We performed first-principles calculations using the projector augmented-wave (PAW)
method for Au/Pd slab interface models. The calculations of relaxed configurations and energies for the thin Pd layers (3 layers) stacking on Au (111) and Au (100) slabs with an epitaxial relationship
represent that Pd overlayers have a lateral expansion in both cases. This trend is in good agreement with experimental results for Pd/Au slabs and Au-Pd core-shell nanoparticles, obtained by electron
microscopy, X-ray diffraction, and positron annihilation. In addition, an intermixing configuration near the Au-Pd interface was shown to be more stable than the binary separated one.
Type of Medium:
Online Resource
ISSN:
1662-9779
DOI:
10.4028/www.scientific.net/SSP.139
DOI:
10.4028/www.scientific.net/SSP.139.29
Language:
Unknown
Publisher:
Trans Tech Publications, Ltd.
Publication Date:
2008
detail.hit.zdb_id:
2051138-3
Permalink