Physics – Condensed Matter – Materials Science
Scientific paper
2007-01-31
Physics
Condensed Matter
Materials Science
12 pages
Scientific paper
Atomic configurations of two or three Pd substituents on the Au(111) surface are investigated using the first-principles pseudopotential plane wave approach. Pd atoms are found to form second neighborhoods on PdAu(111). The Pd-d band becomes narrow and well below the Fermi level, very different from those in a Pd film or bulk Pd. Nevertheless, surface Pd atoms are still active and serve as independent attractive centers towards adsorbates. The special ensembles are important for catalysis applications because of their ability to confine reactants in a small region.
Gong Xin-Gao
Wu Ruqian
Yuan Da-Wei
No associations
LandOfFree
Composition and reactivity on Pd/Au(111) surface: A first-principle study does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Composition and reactivity on Pd/Au(111) surface: A first-principle study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Composition and reactivity on Pd/Au(111) surface: A first-principle study will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-456860