Phys. Chem. Chem. Phys.
 2023
DOI: 10.1039/d3cp02670a
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Fe-doped carbon nanotubes: towards the molecular design of new catalysts for the oxygen reduction reaction

J. L. Nuñez,
G. D. Belletti,
E. Colombo
et al.

Abstract: Using DFT computational methods, single-walled carbon nanotubes (CNT) are explored in different geometric configurations (armchair, chiral and zigzag) doped with Fe. Geometry, electronic structure and magnetic properties are investigated for...

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