This repository contains three datasets for performing microkinetic simulations. CO2 methanation over Co(1121) lattice [1] CO2 methanation over a NiMn catalyst [2] Fischer-Tropsch synthesis over a dual-site Co(0001)xCo(1121) lattice [3] These datasets are based on the following publications 1. W. Chen; R. Pestman; B. Zijlstra; I.A.W. Filot; E.J.M. Hensen, Mechanism of cobalt-catalyzed co hydrogenation: 1. methanation, ACS Catal., 2017, 7, 8061-8071. 2. W.L. Vrijburg; E. Moioli; W. Chen; M. Zhang; B.J.P. Terlingen; B. Zijlstra; I.A.W. Filot; A.Zuttel; E.A. Pidko; E.J.M. Hensen, Efficient Base-Metal NiMn/TiO2 Catalyst for CO2 Methanation, ACS Catal., 2019, 9, 7823-7839. 3. B. Zijlstra; R. J. P. Broos; W. Chen; G. L. Bezemer; I. A. W. Filot; E. J. M. Hensen, The vital role of step-edge sites for both co activation and chain growth on cobalt fischer-tropsch catalysts revealed through first-principles-based microkinetic modeling including lateral interactions, ACS Catal., 2020, 10, 9376-9400. For more information on the formatting of these files, please consult the MKMCXX wiki.

{"references": ["W. Chen; R. Pestman; B. Zijlstra; I.A.W. Filot; E.J.M. Hensen,\u00a0Mechanism of cobalt-catalyzed co hydrogenation: 1. methanation,\u00a0 ACS Catal., 2017, 7, 8061-8071", "W.L. Vrijburg; E. Moioli; W. Chen; M. Zhang; B.J.P. Terlingen; B. Zijlstra; I.A.W. Filot; A.Zuttel; E.A. Pidko; E.J.M. Hensen, Efficient Base-Metal\u00a0NiMn/TiO2 Catalyst for CO2 Methanation, ACS Catal., 2019, 9, 7823-7839", "B. Zijlstra; R. J. P. Broos; W. Chen; G. L. Bezemer; I. A. W. Filot; E. J. M.\u00a0Hensen, The vital role of step-edge sites for both co activation and chain\u00a0growth on cobalt fischer-tropsch catalysts revealed through\u00a0first-principles-based microkinetic modeling including lateral interactions,\u00a0ACS Catal., 2020, 10, 9376-9400"]}