A unifying mechanism for cation effect modulating c1 and c2 productions from co2 electroreduction

HIGHLIGHTS

• who: Seung-Jae Shin from the (UNIVERSITY) have published the article: A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction, in the Journal: (JOURNAL)
• what: Nature Communications | 13:5482 Using DFT-CES simulations, the authors investigate the cationcoordinating ability of 28 possible intermediate species that can be formed during the reaction paths of CO2RR (Fig 1 and Supplementary Fig 1); a path to form CO (Fig 1b; blue), CH4 (Fig 1c, green), and C2H4 via a C-C coupling step (Fig 1d, red). The authors demonstrate distinct Nernstian shifts depending . . .
  

   

  

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