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 Author: Rabe, Rabin R.
• Format: text
• Language: English
• Published: Animo Repository 2006
• Subjects: Density functionals; Halogens; Porphyrins; Oxidation-reduction reaction; Physics
• Online Access: https://animorepository.dlsu.edu.ph/etd_doctoral/165; https://animorepository.dlsu.edu.ph/context/etd_doctoral/article/1164/viewcontent/CDTG004282_P.pdf
• Institution: De La Salle University

One promising energy source is hydrogen based fuel cell specifically Polymer Electrolyte Fuel Cell (PEFC) whose by-product is a non-toxic solvent water. The researchers considered the possibility of using oxygenase-based nanomaterials (Iron (II) porphyrin) in the cathode electrodes of PEFCs, where o...