H, OH and COOH functionalized magnesium phthalocyanine as a catalyst for oxygen reduction reaction (ORR) – A DFT study
Thangaraj Thiruppathiraja, Agnes Lincy Arokiyanathan, Basheer Aazaad, R. Silviya, Senthilkumar Lakshmipathi
Topics & Concepts
CatalysisPhthalocyanineChemistryMagnesiumDensity functional theoryHydrogenInorganic chemistryMoleculeIonic bondingPhotochemistryExothermic reactionOrganic chemistryComputational chemistryIonElectrocatalysts for Energy ConversionElectrochemical Analysis and ApplicationsAdvanced battery technologies research