Chemisorption of Atomic H C N and O on a Cluster Model Graphite Surface

Details Chemisorption of Atomic H C N and O on a Cluster Model Graphite Surface Chemisorption of Atomic H C N and O on a Cluster Model Graphite Surface

Aug 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993mnras.263..851f&link_type=abstract

Monthly Notices of the Royal Astronomical Society, Vol. 263, NO.4/AUG15, P. 851, 1993

Astronomy and Astrophysics

Astronomy

27

Molecular Processes - Dust, Extinction - Ism: Molecules

Scientific paper

The adsorption of atomic H, C, N and O on a cluster-model graphite surface (a coronene-like cluster, C24H12) is studied in detail with the semi-empirical MINDO/3 method. It is shown that the formation of the adsorbate-substrate chemical bond weakens the substrate bond structure and consequently leads to substrate reconstruction. The importance of this effect in surface processes such as chemisorption, mobility and coverage formation is discussed.

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