Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
College of Science
Proceedings of the Eleventh OU-DLSU Academic Research Workshop
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.
Villagracia, A. C., Pobre, R. F., Manzano, E. M., Manzano, M. F., & Quiroga, R. V. (2009). Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation. Proceedings of the Eleventh OU-DLSU Academic Research Workshop, 148-149. Retrieved from https://animorepository.dlsu.edu.ph/faculty_research/8498
Binding energy; Pyrroles