Oxygen reduction reaction on neighboring Fe–N4 and quaternary-N sites of pyrolized Fe/N/C catalyst

Literature Information

Publication Date 2014-12-03
DOI 10.1039/C4CP04811C
Impact Factor 3.676
Authors

Adhitya G. Saputro


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Abstract

We study the interaction between the TM–Nx and metal-free active sites of a pyrolized TM/N/C catalyst and its effect on their ORR activities. We particularly choose a Fe–N4–edge-graphene and a quaternary-N-doped zigzag edge as representatives of TM–Nx and the metal-free active sites, respectively. We find that the interaction of the Fe–N4 and quaternary-N-doped sites at the zigzag edge of graphene enhances the ORR free energy profile at the quaternary-N-doped site. However, the ORR free energy profile at the Fe–N4 site is not affected by this interaction.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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