Density functional theory calculations on the effect of adding messo-, and beta- halogens (F, Cl, and Br) on iron-porphyrin group: An application to hydrogen based fuel cell

• Main Authors: Pobre, Romeric F., Rabe, Rabin R., Feng, Ming, Quevada, Nikko P.
• Format: text
• Published: Animo Repository 2006
• Subjects: Density functionals; Halogens; Porphyrins; Oxidation-reduction reaction; Chemistry
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/13136
• Institution: De La Salle University

The possibility of using oxygenase-based nanomaterials (Iron (II) porphyrin) in the cathode electrodes of PEFCs was investigated, where oxidation reduction reaction takes place (ORR). Specifically, we want to see the effects of halogens (F, Cl, and Br) placed on messo-, and beta- positions of iron p...