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Calcium Adsorption on MgO(100): Energetics, Structure, and Role of Defects.

The adsorption of Ca on the MgO(100) surface at 300 K has been studied using microcalorimetry, in combination with LEED, AES, ISS, work function, sticking probability measurements, and density functional theory (DFT) calculations. The MgO(100) thin films ( 4 nm thick) were grown epitaxially on a 1 μ...

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Published in:Journal of the American Chemical Society Vol. 130; no. 7; pp. 2314 - 2323
Main Authors: Zhu, Junfa, Farmer, Jason A., Ruzycki, Nancy, Lijun Xu, Campbell, Charles T., Henkelman, Graeme
Format: Article
Published: American Chemical Society 2/20/2008
Subjects:
Calcium
Adsorption (Chemistry)
Molecular structure
Magnesium
Oxygen
Density functionals
Heat of adsorption
Online Access:View this record in EBSCOhost