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

doi:10.1002/anie.201208320

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 journal › Article › peer-review

929 Scopus citations

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 CH_x species that can produce both methane and ethylene, as observed experimentally.

Original language	English (US)
Pages (from-to)	2459-2462
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	52
Issue number	9
DOIs	https://doi.org/10.1002/anie.201208320
State	Published - Feb 25 2013

All Science Journal Classification (ASJC) codes

Catalysis
General Chemistry

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10.1002/anie.201208320

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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.",

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AU - Asthagiri, Aravind

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AB - 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.

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

Abstract

All Science Journal Classification (ASJC) codes

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