CO 2 hydrogenation on Ni(111): microkinetic modelling vs. kinetic Monte Carlo simulations – choosing the right approach for unravelling reaction kinetics | Synapse
January 1, 2025Open Access
CO 2 hydrogenation on Ni(111): microkinetic modelling vs. kinetic Monte Carlo simulations – choosing the right approach for unravelling reaction kinetics
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Abstract
Illustration of the gaseous production and overall coverage for different conditions using both the MkM and kMC methods.