ISSN:
1432-2234
Keywords:
Key words: Interaction energies
;
Pyridine
;
Hydrogen
;
Fluorine
;
Diamond(111)
;
Nanotechnology
;
Chemical storage of data
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050223
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