Abstract
Computational advances that enable the prediction of the structures and the energies of surface reaction intermediates are providing essential information to the formulation of theories of surface chemical reactivity. In this contribution this is illustrated for the activation of ammonia by coadsorbed oxygen and hydroxyl on the Pt(111), Pt(100), and Pt(211) surfaces.
| Original language | English |
|---|---|
| Pages (from-to) | 012028-1/7 |
| Journal | Journal of Physics: Conference Series |
| Volume | 117 |
| DOIs | |
| Publication status | Published - 2008 |
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