Surface-defect-mediated channel for oxygen incorporation into Ru(0001)
Article Abstract:
A study on the capacity of internationally created defects to act as possible channels for oxygen incorporation into the subsurface is presented by means of thermal desorption spectroscopy and ultraviolet photoelectron spectroscopy. To determine the overall surface roughness as achieved by exposing the surface to a flux of low-energy Ar(super +) ions thermal-energy atom scattering is applied.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Electronic states of chemisorbed oxygen species and their mutually related studies on SnO(sub 2) thin film
Article Abstract:
A study is conducted to examine the relations between the amount of bridging oxygen vacancies and the electronic states of chemisorbed oxygen species over SnO2 thin films. The chemisorbed oxygen species measured with XPS are assigned with the theoretical calculations with the DFT calculations procedures with a three-layered cluster model.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Chemisorption of atomic oxygen on Pt(111) from DFT studies of Pt-clusters
Article Abstract:
The electronic structure and bonding of oxygen to various Pt-clusters is studied using density functional theory (DFT) with gradient-corrected exchange-correlation functionals (B3LYP). The results show that the 28-atom three-layer Pt(sub 9.10.9)-cluster gives a good representation of the Pt(111)-surface for various adsorption sites.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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