Oxygen on an Fe monolayer on W(110): From chemisorption to oxidation
نویسندگان
چکیده
منابع مشابه
Oxygen chemisorption on Au nanoparticles
Oxygen molecules do not adsorb on flat gold surfaces at room temperature, but recent experimental results have demonstrated adsorption of oxygen on small, negatively charged gold nanoparticles. Here we report first-principles density functional calculations of oxygen adsorption on neutral and charged Aun nanoparticles. We find that: (i) Oxygen molecules chemisorb on Aun clusters, with typical b...
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a r t i c l e i n f o From an interplay between variable temperature scanning tunneling microscopy and density–functional theory calculations, the evolution of oxygen chemisorption-induced surface reconstructions of the Cu(110) surface is determined. The surface reconstructions proceed via a sequential pathway with increasing oxygen surface coverage. The (2 × 1) reconstruction occurs first and ...
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15 صفحه اولChemisorption sites of CO on small gold clusters and transitions from chemisorption to physisorption.
Gold clusters adsorbed with CO, Au(m)(CO)(n) (-) (m=2-5; n=0-7), were studied by photoelectron spectroscopy (PES). The first few CO adsorptions were observed to induce significant redshifts to the PES spectra relative to pure gold clusters. For each Au cluster, a critical CO number (n(c)) was observed, beyond which the PES spectra of Au(m)(CO)(n) (-) change very little with increasing n. n(c) w...
متن کاملChemisorption of Atomic Oxygen on Pt(111) from DFT Studies of Pt-Clusters
Using density functional theory (DFT) with gradient-corrected exchange-correlation functionals (B3LYP), we systematically study the electronic structure and bonding of oxygen to various Pt-clusters. Our aim is to understand how the cluster size and shape affect the chemistry of dispersed catalysts and to find the smallest cluster suitable for modeling surface reactions on the Pt(111)-surface. W...
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ژورنال
عنوان ژورنال: Surface Science
سال: 2013
ISSN: 0039-6028
DOI: 10.1016/j.susc.2013.07.011