The electronic properties, stability and catalytic activity of metallofullerene (M@C60) for robust hydrogen evolution reaction: DFT insights
Sehrish Sarfaraz, Muhammad Yar, Khurshid Ayub
Topics & Concepts
MetallofullereneCatalysisFullereneHydrogenChemistryDensity functional theoryTransition metalNanomaterial-based catalystGibbs free energyHydrogen atomPhysical chemistryComputational chemistryChemical physicsMaterials scienceThermodynamicsOrganic chemistryPhysicsAlkylElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFullerene Chemistry and Applications