화학공학소재연구정보센터
Electrochimica Acta, Vol.296, 528-534, 2019
Endorsement of Manganese Phthalocyanine microstructures as electrocatalyst in ORR: Experimental and computational study
As an alternative to rare, expensive noble metal based electrocatalysts, cost-effective metal phthalocyanines having high availability and bearing unique properties, shows their remarkable footprint as a suitable electrocatalyst in oxygen reduction reaction. We report in the present work, the chemical synthesis of 1-dimensional microstructures of Manganese Phthalocyanine and their potential application as active oxygen reduction reaction electrocatalyst in alkaline medium. Intensive experimental measurements and theoretical calculations for the electrochemical activity of the material through first principles density functional theory reveal that the onset potential and the half wave potential obtained though electrochemical measurements is comparable to that of commercially available Pt/C. Also, first principles theoretical calculations indicate that the reduction reaction mechanism proceeds via 4-electron pathway on microstructured Phthalocyanine catalyst. Systematic calculations of the adsorption energy of oxygen reduction reaction intermediates as well as the theoretical overpotential (0.63 V) and limiting potential (0.6 V), obtained in this study, is found to be consistent with that obtained experimentally. (C) 2018 Elsevier Ltd. All rights reserved.