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:	Villagracia, Al Rey C., Pobre, Romerick F., Manzano, Enrique M., Manzano, Maria Carla F., Quiroga, Reuben V.
Format:	text
Published:	Animo Repository 2009
Subjects:	Binding energy Pyrroles Physics
Online Access:	https://animorepository.dlsu.edu.ph/faculty_research/8498
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Institution:	De La Salle University

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spelling	oai:animorepository.dlsu.edu.ph:faculty_research-93712023-02-28T07:01:51Z Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation Villagracia, Al Rey C. Pobre, Romerick F. Manzano, Enrique M. Manzano, Maria Carla F. Quiroga, Reuben V. 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. 2009-01-01T08:00:00Z text https://animorepository.dlsu.edu.ph/faculty_research/8498 Faculty Research Work Animo Repository Binding energy Pyrroles Physics
institution	De La Salle University
building	De La Salle University Library
continent	Asia
country	Philippines Philippines
content_provider	De La Salle University Library
collection	DLSU Institutional Repository
topic	Binding energy Pyrroles Physics
spellingShingle	Binding energy Pyrroles Physics Villagracia, Al Rey C. Pobre, Romerick F. Manzano, Enrique M. Manzano, Maria Carla F. Quiroga, Reuben V. Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
description	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.
format	text
author	Villagracia, Al Rey C. Pobre, Romerick F. Manzano, Enrique M. Manzano, Maria Carla F. Quiroga, Reuben V.
author_facet	Villagracia, Al Rey C. Pobre, Romerick F. Manzano, Enrique M. Manzano, Maria Carla F. Quiroga, Reuben V.
author_sort	Villagracia, Al Rey C.
title	Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
title_short	Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
title_full	Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
title_fullStr	Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
title_full_unstemmed	Preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): A first principle calculation
title_sort	preliminary investigation on dimer-pyrrole adsorption on aluminum, copper, and silicon surfaces (100): a first principle calculation
publisher	Animo Repository
publishDate	2009
url	https://animorepository.dlsu.edu.ph/faculty_research/8498
_version_	1767196913953669120

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

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