Browsing Faculty of Engineering by Subject "Catalysis"
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Catalytic dehydrogenation of the liquid organic hydrogen carrier octahydroindole on Pt (111) surface: ab initio insights from density functional theory calculations
(Elsevier, 2019)Ab initio calculations based on dispersion-corrected density functional theory were used to gain insight into the adsorption properties of reactants and products involved in the catalytic dehydrogenation of octahydroindole ... -
Catalytic dehydrogenation onset of liquid organic hydrogen carrier, perhydro-dibenzyltoluene: the effect of Pd and Pt subsurface configurations
(Elsevier, 2019)Perhydro-dibenzyltoluene (H18-DBT) is the hydrogen-rich form of the liquid organic hydrogen carrier (LOHC), dibenzyltoluene. The reversible catalytic hydrogenation and dehydrogenation of LOHCs has made them highly favored ...