Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation

Authors

Al Rey C. Villagracia, De La Salle University, Manila
Romerick F. Pobre, De La Salle University, Manila
Enrique M. Manzano, De La Salle University, Manila
Maria Carla F. Manzano, De La Salle University, Manila
Reuben V. Quiroga, De La Salle University, Manila

College

College of Science

Department/Unit

Physics

Document Type

Conference Proceeding

Source Title

Proceedings of the Eleventh OU-DLSU Academic Research Workshop

First Page

148

Last Page

149

Publication Date

2009

Abstract

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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Recommended Citation

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

Disciplines

Physics

Keywords

Binding energy; Pyrroles

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