Fonseca, Sarah published the artcileOxygen Reduction Reaction on a CuII Complex of 3,5-Diamino-1,2,4-triazole: A DFT Approach, Recommanded Product: 3,5-Diamino-1,2,4-triazole, the main research area is oxygen reduction reaction diaminotriazole copper complex electrocatalyst analysis.
The high costs for producing catalysts for fuel cells combined with low efficiency in oxygen reduction make metal-organic complexes a promising alternative to noble-metal catalysts. The electrochem. activity of Cu-complex-based catalysts has been reported by many authors, but only a few works are devoted to theor. studies. In this manuscript, d. functional theory (DFT) calculations are used to investigate the oxygen reduction reaction (ORR) on a CuII complex of 3,5-diamino-1,2,4-triazole. The determining steps for the associative and dissociative mechanisms are the oxygen adsorption and the oxygen bond cleavage, resp. The barrier for breaking the O-O bond in the dissociative mechanism was estimated at 0.7 eV.
ACS Omega published new progress about Electrochemical reaction catalysts. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Recommanded Product: 3,5-Diamino-1,2,4-triazole.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem