Substituted heterocycles as new candidates for liquid organic hydrogen carriers: In silico design from DFT calculations
Rodolfo Izquierdo, Néstor Cubillán, Mayamarú Guerra, Merlín Rosales
Topics & Concepts
DehydrogenationPyrroleThiopheneHydrogen storageChemistryDensity functional theoryHydrogenHydrodesulfurizationCombinatorial chemistryComputational chemistryOrganic chemistryCatalysisHybrid Renewable Energy SystemsHydrogen Storage and MaterialsAdvanced battery technologies research