[3PS-132]
Electrocatalytic Oxygen reduction properties of a trinuclear Cobalt complex with a Pyridine-based pincer ligand: Synthesis, structural characterization, and mechanistic insights
발표자Sujoy Bandyopadhyay (HANYANG UNIVERSITY)
연구책임자Sujoy Bandyopadhyay (HANYANG UNIVERSITY)
Abstract
Clean energy systems like fuel cells and metal–air batteries require efficient, earth-abundant oxygen reduction reaction (ORR) catalysts.This work examines the trinuclear coordination complex [Co3(L)2(CH3CN)5]⋅2ClO4 (1) was described by single crystal X-ray diffraction, revealing a monoclinic system and deformed trigonal bipyramidal geometry around cobalt(II) centers. Complex 1 has strong electrocatalytic activity for ORR, with an onset potential of 0.52 V and a Tafel slope of 136 mV dec⁻¹. This electrocatalytic process was explained using density functional theory (DFT) calculations, which showed a multi-step reaction pathway begun by oxygen adsorption. The results show that electrical and geometric parameters improve catalytic efficiency, providing essential insights for developing improved materials for electrochemical applications.