Interactions of Atomic Clusters
B.K. Rao*, S.K. Nayak,
S.E. Weber, and J. A. Darsey(b)
Physics
Department
Virginia Commonwealth University
Richmond, VA 23284-2000
(b)Chemistry Department,
University of Arkansas at Little Rock
Little Rock, AR 72204 |
This is an abstract
for a poster to be presented at the
Fifth
Foresight Conference on Molecular Nanotechnology.
There will be a link from here to the full article when it is
available on the web.
Self-consistent first principles calculations have been
performed for studying the interactions of atomic clusters with
chemical species ( hydrogen nitrogen and NO molecules) as well as
with substrates. The large surface-to-volume ratio and size
dependent properties of atomic clusters have made them
potentially useful in the formation of nanostructured materials.
The calculations are aimed at providing fundamental understanding
of these interactions. The role of reactivity as a proble of the
geometry of a cluster will be discussed.
*Corresponding Address:
Professor Bijan K. Rao, Department of Physics, Virginia
Commonwealth University, Richmond, VA 23284-2000, ph:
804-828-1613, fax: 804-828-7073, email: [email protected]
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