DOI: 10.1039/d3cp02670a ISSN:
Fe-doped carbon nanotubes: towards the molecular design of new catalysts for the oxygen reduction reaction
J. L. Nuñez, G. D. Belletti, E. Colombo, R. R. Nazmutdinov, P. Quaino- Physical and Theoretical Chemistry
- General Physics and Astronomy
Fe-doped carbon nanotubes are proposed as electrocatalysts for the oxygen reduction reaction (ORR). The armchair (5,5) Fe@CNT shows the lowest activation energy for the reaction and a superoxide anion radical (O2˙−) is formed in an adsorbed state.