Aluminum Doped Silicon Nanocage as High Efficiency Catalysts to Oxygen Reduction Reaction

Abstract

In the acidic condition the oxygen reduction reaction (ORR) through the aluminum doped silicon nanocage (Al–Si78) is studied. The ORR reactions are examined by theoretical methods and optimum pathways for ORR on Al–Si78 are examined. Results indicated that the Al–Si78 catalyzed the ORR through the LH and ER paths. Calculated parameters displayed that ER and LH paths are optimum pathways for ORR on surface of Al–Si78. Results demonstrated that the Al–Si78 can be considered as high potential catalyst to ORR.