Study of oxygen reduction reaction on binuclear-phthalocyanine with Fe-Fe, Co-Co, and Fe-Co dual-atom-active sites using density functional theory
Anuj Kumar, Dipak K. Das, Raj Kishore Sharma, Manickam Selvaraj, Mohammed A. Assiri, Saira Ajmal, Guoxin Zhang, Ram K. Gupta, Ghulam Yasin
Topics & Concepts
Density functional theoryCatalysisChemistryAtom (system on chip)PhthalocyanineDecompositionGibbs free energyOxygen reduction reactionCrystallographyPhysical chemistryComputational chemistryElectrochemistryOrganic chemistryThermodynamicsEmbedded systemComputer scienceElectrodePhysicsElectrocatalysts for Energy ConversionAdvanced battery technologies researchFuel Cells and Related Materials