Selectivity of CO2 reduction on copper electrodes: The role of the kinetics of elementary steps

Xiaowa Nie, Monica R. Esopi, Michael J. Janik, Aravind Asthagiri

Research output: Contribution to journalArticle

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Abstract

On the right path: Based on DFT calculations (incorporating the role of water solvation) of the activation barriers of elementary steps, a new path that leads to methane and ethylene for CO2 electroreduction on Cu(111) was identified. Methane formation proceeds through reduction of CO to COH (path II, see picture), which leads to CHx species that can produce both methane and ethylene, as observed experimentally.

Original languageEnglish (US)
Pages (from-to)2459-2462
Number of pages4
JournalAngewandte Chemie - International Edition
Volume52
Issue number9
DOIs
StatePublished - Feb 25 2013

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All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

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