Alkali metal doping by MgO: mechanisms of formation of paramagnetic surface centers
Article Abstract:
A study was conducted to examine the adsorption of alkali-metal atoms (M= Li, Na, and K) on the surface of MgO by means of embedded-cluster DFT calculations. The results of the computed properties of the unprecedented M(super +)(e (super -))trapped pairs (hyperfine constants and optical transitions) are consistent with the experimental measures and shows that the trapped electron and the adsorbed alkali-metal cation are separated by short distances.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Comment about this article or add new information about this topic:
Alkali metal doping by MgO: mechanisms of formation of paramagnetic surface centers
Article Abstract:
A study was conducted to examine the adsorption of alkali-metal atoms (M= Li, Na, and K) on the surface of MgO by means of embedded-cluster DFT calculations. The results of the computed properties of the unprecedented M(super +)(e (super -))trapped pairs (hyperfine constants and optical transitions) are consistent with the experimental measures and shows that the trapped electron and the adsorbed alkali-metal cation are separated by short distances.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
Comment about this article or add new information about this topic:
EPR study of the surface basicity of calcium oxide. 2: the interaction with alkanes
Article Abstract:
The experimental evidence of the heterolytic dissociation of some saturated hydrocarbons (methane, ethane, propane and cyclohexane) at the surface of high surface area CaO activated at high temperature is reported. The reaction takes place at RT on particularly basic O(super 2-) sites at the surface of CaO, which is followed via EPR spectroscopy in two distinct ways.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
Comment about this article or add new information about this topic:
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