Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
We calculated ground-state binding energies of dimer-pyrrole (di-Py) on Aluminum (Al), Copper (Cu), and Silicon (Si) surfaces. Adsorption of dimer-pyrrole on these surfaces could provide a way on how to calculate the activation energy for each configuration. These activation energies are vital infor...
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| Main Authors: | , , , , |
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| Format: | text |
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Animo Repository
2009
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| Subjects: | |
| Online Access: | https://animorepository.dlsu.edu.ph/faculty_research/8498 |
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| Institution: | De La Salle University |
| Summary: | We calculated ground-state binding energies of dimer-pyrrole (di-Py) on Aluminum (Al), Copper (Cu), and Silicon (Si) surfaces. Adsorption of dimer-pyrrole on these surfaces could provide a way on how to calculate the activation energy for each configuration. These activation energies are vital information in characterizing the electronic properties of conductive polymer-metal interfaces. Recent study has shown that conductive polymer-metal interfaces are good sources of information in designing novel materials for photovoltaic cells1, photocapacitors2, and fuel cells3 applications. |
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