Differentiating between hydrogen and fluorine on a diamond surface |
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Authors: | Charles W. Bauschlicher Jr. Marzio Rosi |
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Affiliation: | (1) NASA, Ames Research Center STC-230-3, Moffett Field, CA 94035, USA, US |
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Abstract: | We have computed the interaction energies for pyridine (C5H5N) and (CH3)3PO with H and F atoms on the surface of diamond(111) as a function of the type of neighboring surface atom. The pyridine-H and -F interaction energies differ by about 5 kcal/mol, which is only about one-third of that found for a one-dimensional model for the surface. The difference in the interaction energies for (CH3)3PO is larger. However, the (CH3)3PO-neighbor interaction energy is larger than for pyridine, so that the (CH3)3PO-H interaction becomes repulsive for six neighboring F atoms. Substituting CN for F dramatically increases the repulsion between the surface atoms and molecules. The repulsion is sufficiently large that H/CN does not appear to be better than H/F as a possible way to store data on a surface. While pyridine shows some potential as a possible probe to differentiate between H and F on a diamond surface, it is not ideal. Received: 7 April 1997 / Accepted: 20 May 1997 |
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Keywords: | : Interaction energies Pyridine Hydrogen Fluorine Diamond(111) Nanotechnology Chemical storage of data |
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