Affiliation:
1. Instituto de Química Aplicada del Litoral, IQAL (UNL-CONICET), Santa Fe, Argentina
2. Kazan National Research Technological University, 420015 Kazan, Republic of Tatarstan, Russian Federation
Abstract
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.
Funder
Agencia Santafesina de Ciencia, Tecnología e Innovación
Consejo Nacional de Investigaciones Científicas y Técnicas
Agencia Nacional de Promoción de la Investigación, el Desarrollo Tecnológico y la Innovación
Universidad Nacional del Litoral
Russian Foundation for Basic Research
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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