Inside Back Cover: Theoretical Considerations on the Electroreduction of CO to C 2  Species on Cu(100) Electrodes (Angew. Chem. Int. Ed. 28/2013) | Zendy

CalleVallejo Federico | Zendy; Koper Marc T. M. | Zendy

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Inside Back Cover: Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes (Angew. Chem. Int. Ed. 28/2013)

Author(s) -

CalleVallejo Federico,

Koper Marc T. M.

Publication year - 2013

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201304905

Subject(s) - acetaldehyde , copper , electrochemistry , chemistry , cover (algebra) , electrode , electron transfer , limiting , molecule , ethylene , carbon fibers , density functional theory , inorganic chemistry , ethanol , computational chemistry , materials science , organic chemistry , catalysis , mechanical engineering , composite number , engineering , composite material

How carbon oxides are reduced by copper electrodes is a mystery. In their Communication on page 7282 ff. , F. Calle‐Vallejo and M. T. M. Koper use DFT calculations to elucidate a mechanism for the electroreduction of CO on Cu(100) to C 2 species. The electron‐transfer‐mediated coupling of CO molecules is found to be the rate‐limiting step. The most abundant C 2 products, namely ethylene, ethanol, and acetaldehyde, are formed in a common pathway. This mechanism explains why the formation of C 2 species is pH‐independent.

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