2016
DOI: 10.1002/cssc.201601144
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Mechanistic Insights into the Unique Role of Copper in CO2 Electroreduction Reactions

Abstract: Cu demonstrates a unique capability towards CO electroreduction that can close the anthropogenic carbon cycle; however, its reaction mechanism remains elusive, owing to the obscurity of the solid-liquid interface on Cu surfaces where electrochemical reactions occur. Using a genetic algorithm method in addition to density functional theory, we explicitly identify the configuration of a water bilayer on Cu(2 1 1) and build electrochemical models. These enable us to reveal a mechanistic picture for CO electroredu… Show more

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Cited by 43 publications
(37 citation statements)
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References 52 publications
(166 reference statements)
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“…Cu as the third group metal can generate high value‐added carbonaceous compounds at low cost . However, poor selectivity and activity degradation are two remaining challenges for practical application.…”
Section: Electrocatalysts For Electrocatalytic Co2 Reductionmentioning
confidence: 99%
“…Cu as the third group metal can generate high value‐added carbonaceous compounds at low cost . However, poor selectivity and activity degradation are two remaining challenges for practical application.…”
Section: Electrocatalysts For Electrocatalytic Co2 Reductionmentioning
confidence: 99%
“…Electrochemical reduction of CO 2 has attracted considerable interest in recent years, because a cost‐effective electrochemical route can not only convert the intractable CO 2 back to valuable chemicals or fuels but also may help to store intermittent energies if coupled with renewable power supplies . The electrochemical derivatives of CO 2 , including CO, HCOOH, CH 3 OH, CH 4 , and other small organic molecules, are very important chemicals .…”
Section: Figurementioning
confidence: 99%
“…[21] Most recently, Liu et al found the *CCO is the key intermediate for C 2 H 4 formation on Cu(221)/Cu(111) surface under the influence of solid-liquid interface. [22] To our knowledge, it is still ambiguous about the effect of nanoparticle symmetry on the selectivity of CO 2 reduction.…”
Section: Introductionmentioning
confidence: 99%