Lateral interactions effect in the kinetic Monte Carlo study of the CO2 hydrogenation reaction on Ni(111) ; Efecte de les interaccions laterals en l’estudi cinètic Monte Carlo de la reacció d’hidrogenació de CO2 sobre Ni(111)

Treballs Finals de Grau de Química, Facultat de Química, Universitat de Barcelona, Any: 2022, Tutor: Ramón Sayós Ortega ; Several studies on the CO2 hydrogenation reaction have been carried out in recent years. These aimed to find a way to transform the CO2 molecule into CH4, in order to reduce emissions of the dioxide into the atmosphere by creating an energetic cycle, where the residue of a combustion is transformed into a new possible fuel. In this reaction, a total of 86 elementary processes are found, which include a total of 25 different species. These different processes create a compet... Mehr ...