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

• المؤلفون الرئيسيون: Villagracia, Al Rey C., Pobre, Romerick F., Manzano, Enrique M., Manzano, Maria Carla F., Quiroga, Reuben V.
• التنسيق: text
• منشور في: Animo Repository 2009
• الموضوعات: Binding energy; Pyrroles; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/8498

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...