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Chemicals, plastics and rubber industries

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Surface-template assembly of two-dimensional metal-organic coordination networks

Article Abstract:

Scanning tunneling microscopy under ultra-high-vacuum conditions was applied to analyze the self-assembly of iron-coordinated two-dimensional metal-organic networks on a Cu (100) surface. It was found that all the three linker molecules formed a reticular 2D open coordination network of a rectangular topology, but substantial variations were seen in the coordination configurations and network geometries.

Author: Kern, Klaus, Barth, Johannes V., Stepanow, Sebastian, Lin, Nian
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Observations, Scanning tunneling microscopy, Adsorption, Copper compounds, Chemical properties

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Interaction of hydrogen with cerium oxide surfaces: A quantum mechanical computational study

Article Abstract:

Ab initio calculations based on density functional theory was used to study the interaction of the (110) and (111) surfaces of ceria (Ce[O.sub.2]) with atomic hydrogen. Adsorption energies for the (110) and (111) surfaces are -150.8 and -128.3 kJ/mol, respectively, indicating that the adsorption of molecular hydrogen on these surfaces of ceria is energetically favored.

Author: Fabris, Stefano, Vicario, Gianpaolo, Balducci, Gabriele, de Gironcoli, Stefano, Baroni, Stefano
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Cerium & Compounds, Usage, Quantum theory, Quantum mechanics, Density functionals, Density functional theory, Cerium, Atomic properties

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Subjects list: Analysis, Structure
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