Chemistry Reference
In-Depth Information
Very recently we have considered the adsorption of benzene on Cu(111) [
62
],
using a DFT approach with a van der Waals functional included. We can account
for the two ordered submonolayer phases observed by Dougherty et al. [
63
]. The
denser phase is due to direct van der Waals bonding between the benzenes while the
less dense phase appears to be due to the surface-state-mediated interaction. We have
not yet investigated the role of trio interactions in this system. Our ultimate goal is
to explain the dramatic giant regular honeycomb structure formed by anthraquinone
(AQ) molecules on this substrate [
64
]. In models that treat the admolecules as single
“atoms,” a repulsive trio interaction is crucial to prevent the formation of dense,
unphysical overlayer regions (Kim and Einstein, Unpublished). Our belief is that
the large, regular structure is related to interactions between AQ mediated by the
metallic surface state. A variety of theoretical and experimental techniques are in
progress to confirm this picture (Bartels and Einstein, Unpublished).
Acknowledgments
Our research at Maryland was supported primarily by the NSF-MRSEC,
Grant DMR 05-20471. Some aspects benefited from NSF Grant Chem 07-50334 and DOE-CMSN
support. The Center for Nanophysics and Advanced Materials (CNAM) provided ancillary support.
We thank T.J. Stasevich, P. Hyldgaard, K. Berland, E.D. Williams, L. Bartels, and K. Kim for
fruitful collaboration and stimulating discussions on the topics discussed.
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