Dissociation Energy of an (O2) Oxygen Molecule by DFT Calculations |Biomedgrid

Dissociation energy of an oxygen molecule is an intense research using platinum as catalyst against not only carbon electrodes of fuel cells but also hypoxia which is low oxygenation in blood. Our aim is to exhibit platinum at least in four different complexes interacting with oxygen molecule through DFT calculations in designing intermediate molecule complexes for treatment of this kind of applications. Reaction mechanisms among oxygen molecules and platinum catalysts (Pt, Pt4) are also described in interaction with C60 activated carbon as electrode of a fuel cell by means of DFT calculations. This represents a bridge bond between the theoretical calculations and the processes of fuel transformation in the fuel cells (PEMFC). Moreover, these platinum complexes can be used to build new carboplatin molecules against hypoxia. Our basic results match with DFT calculations supported on experimental data. In addition, the catalytic support C60Pt4 breaks the oxygen molecule O2, consequently it is found that hrH breaks before vrH and this before drH.