Deciphering water oxidation catalysts: the dominant role of surface chemistry over reconstruction degree in activity promotion

HIGHLIGHTS

• What: In this work, using perovskite ­LaNi1-xFexO3 (x=0.00, 0.10, 0.25, 0.50, 0.75, and 1.00, which was simplified as L ­ aNi1-xFexO3 below) as model catalysts, the authors investigate the role of iron cations during surface reconstruction and reveal the optimal nickel-iron ratio in the perovskite pre-catalyst. The Hubbard U corrections were adopted using the model proposed by Dudarev and colleagues. Besides, EELS spectra of Ni L-edge and Fe L-edge were obtained from scans on L ­ aNi0.9Fe0.1O3 along the direction shown in Fig S13 . . .
  

   

  

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