Published October 11, 2021 | Version v1
Dataset Open

Acid-Stable and Active M–N–C Catalysts for the Oxygen Reduction Reaction: The Role of Local Structure

  • 1. Department of Energy Conversion and Storage, Technical University of Denmark

Description

The data set contains the relaxed structures in VASP CONTCAR files for acid stability and ORR activity calculation of M-N-C system. The related calculated total energy could be seen in the OUTCAR files.

Files

M-N-C_structure.zip

Files (132.5 MB)

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