ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
It is proposed to investigate geometric arrangements in chemisorption systems by standardized force fields. This "molecular modeling'' technique is particularly simple to apply to densely packed adsorption layers with dominating nonbonding interactions where the substrate essentially acts as a template for interadsorbate distances. The approach is exemplified for Ni(110/c(2×2)C2N2. Tilting of the molecular axis by about 20–30 degrees with respect to the surface (the molecules oriented perpendicularly to the troughs) is deduced, supporting a corresponding interpretation of angular resolved photoemission data.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.459799
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