Reaction pathways for pyridine adsorption on silicon (0 0 1)
Density functional theory is used to describe the reactions of chemisorption of pyridine on the silicon (0 0 1) surface. Adsorption energies of six relevant structures, and the activation energies between them are reported. We consider in detail the dative to tight-bridge transition for which confli...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
| Published: |
Institute of Physics Publishing
2015
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| Online Access: | http://hdl.handle.net/20.500.11937/15476 |