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[×ÊÔ´] nature chemistry×îУºÉè¼Æ¹ý¶É½ðÊôÑõ»¯ÎïȼÁÏµç³Ø´ß»¯¼ÁÌæ´úPt

The prohibitive cost and scarcity of the noble-metal catalysts needed for catalysing the oxygen reduction reaction (ORR)
in fuel cells and metal¨Cair batteries limit the commercialization of these clean-energy technologies. Identifying a catalyst
design principle that links material properties to the catalytic activity can accelerate the search for highly active and
abundant transition-metal-oxide catalysts to replace platinum. Here, we demonstrate that the ORR activity for oxide
catalysts primarily correlates to s*-orbital (eg) occupation and the extent of B-site transition-metal¨Coxygen covalency,
which serves as a secondary activity descriptor. Our findings reflect the critical influences of the s* orbital and metal¨C
oxygen covalency on the competition between O2
2¨C/OH¨C displacement and OH¨C regeneration on surface transition-metal
ions as the rate-limiting steps of the ORR, and thus highlight the importance of electronic structure in controlling oxide
catalytic activity.
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