Si, P, S and Se surface additives as catalytic activity boosters for dehydrogenation of methylcyclohexane to toluene - A liquid organic hydrogen carrier system: Density functional theory insights
Cecil Naphtaly Moro Ouma, Kingsley Onyebuchi Obodo, Phillimon Modisha, Dmitri Bessarabov
Topics & Concepts
MethylcyclohexaneDehydrogenationCatalysisDensity functional theoryTolueneChemistryWettingvan der Waals forceHydrogenPhysical chemistryPhotochemistryComputational chemistryChemical engineeringOrganic chemistryMoleculeEngineeringHybrid Renewable Energy SystemsHydrogen Storage and MaterialsCatalysis and Hydrodesulfurization Studies