A density-functional study of cluster reactivity. II. Two ammonia molecules reacting with a free Ga5As5 cluster
Mackey, J. ; Lou, L. ; Nordlander, P.
College Park, Md. : American Institute of Physics (AIP)
Published 1995
College Park, Md. : American Institute of Physics (AIP)
Published 1995
| ISSN: |
1089-7690
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|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
We present an investigation of the interaction of two ammonia molecules with the Ga5As5 cluster. The (NH3)2Ga5As5 complex is found to be stable, in agreement with experiments. We find a significant decrease in the binding energy for the second ammonia, compared to single ammonia adsorption in agreement with experimental results. We investigate the site dependence of the ammonia–ammonia interaction and demonstrate that the adsorption of a single ammonia on certain sites prevents further adsorption of ammonia on certain other sites. © 1995 American Institute of Physics.
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| Type of Medium: |
Electronic Resource
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| URL: |