Supplementary data and microkinetic model for 'Key Role of CO Coverage for Chain Growth in Co-Based Fischer-Tropsch Synthesis'

This repository contains: 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’. Input files for the high CO coverage microkinetic model in Chemkin. (update 2025-06-19) Input files for the high CO coverage microkinetic model in Chemkin with CO2 activation (sim2.zip). DOI: 10.1021/acscatal.5c03024 and 10.1021/acscatal.3c04844