Physical adsorption of Ar and CO2 on C60 fullerene
Article Abstract:
Monte Carlo computer simulations investigate Ar and CO2 physisorption on a very well crystallized sample of fullerene C60. Analysis of the structure of the adsorbed film suggests that both gases are adsorbed in the voids of the C60 structure in a solid state with densities slightly larger than the bulk solid.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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Adsorption and activation of CO over flat and stepped Co surface: A first principles analysis
Article Abstract:
The adsorption and activation of CO over flat Co{0001}, corrugated Co{1120}, and stepped Co{1012} and Co{1124} surfaces are analyzed using periodic density functional theory calculations. CO strongly chemisorbs on all these surfaces but does not show a strong dependence on the surface structure.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Origin and characteristics of preferential adsorption on different sites in cobalt-exchanged ferrierite
Article Abstract:
The catalytic activity of metal-exchanged zeolites for nitrogen oxide (NOx) reduction is measured by the turnover of individual atoms. It is observed that amongst all the molecules, adsorption is preferred on cobalt in the B ferrierite environment over cobalt in the G ferrierite environment.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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