Premium
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
Author(s) -
CalleVallejo Federico,
Koper Marc T. M.
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201301470
Subject(s) - electrochemistry , electron transfer , construct (python library) , chemistry , ethylene oxide , ethylene , acetaldehyde , adsorption , computer science , combinatorial chemistry , electrode , ethanol , organic chemistry , catalysis , copolymer , polymer , programming language
CO‐products : DFT calculations are used to construct a mechanism for the electrochemical reduction of CO on Cu(100) that agrees with the experimental observations (see picture) of pH independence in the formation of C 2 species. The rate‐determining step is an electron‐transfer‐mediated CO dimerization. Ethylene, acetaldehyde, and ethanol are formed through a common pathway, and adsorbed ethylene oxide is one of the reaction intermediates.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom