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Published January 23, 2024 | Version v1
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Supplementary data and microkinetic model for 'Key Role of CO Coverage for Chain Growth in Co-Based Fischer-Tropsch Synthesis'

Authors/Creators

  • 1. ROR icon Ghent University
  • 2. ROR icon University of Oklahoma

Description

This repository contains:

  1. The DFT data (energies, frequencies and structures) of all important intermediates of the microkinetic model constructed for the publication ‘Key Role of CO Coverage for Chain Growth in Co-Based Fischer-Tropsch Synthesis’.
  2. Input files for the high CO coverage microkinetic model in Chemkin.

DOI: 10.1021/acscatal.3c04844

Files

MKM_DFT_data.pdf

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