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

RUSSIAN JOURNAL OF ELECTROCHEMISTRY(2020)

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摘要
In the acidic condition the oxygen reduction reaction (ORR) through the aluminum doped silicon nanocage (Al–Si 78 ) is studied. The ORR reactions are examined by theoretical methods and optimum pathways for ORR on Al–Si 78 are examined. Results indicated that the Al–Si 78 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–Si 78 . Results demonstrated that the Al–Si 78 can be considered as high potential catalyst to ORR.
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关键词
ORR,nanocage,M06-2X,catalyst,fuel cells
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