Adsorption of CO accompanied with simultaneous charge transfer on copper single crystal electrodes related with electrochemical reduction of CO2 to hydrocarbons

Hori, Yoshio; Wakebe, Hidetoshi; Tsukamoto, T.; Katoh, Osamu

doi:10.1016/0039-6028(95)00441-6

Cited by 218 publications

(176 citation statements)

References 11 publications

Supporting

Mentioning

160

Contrasting

Unclassified

Order By: Relevance

“…Cu is the most well studied catalyst for CO 2 reduction because it is the only monometallic catalyst that can reduce CO 2 to hydrocarbons and alcohols with reasonably high Faradaic efficiencies. [11][12][13][14] However, it should be noted that Cu produces a wide variety of products, the distribution of which is sensitive to the manner of catalyst preparation. To illustrate this point, the CO 2 reduction activity observed over Cu(111) and Cu(100) are compared in Figure 1a.…”

Section: Benchmarking Electrocatalytic Performancementioning

confidence: 99%

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide

et al. 2018

View full text Add to dashboard Cite

Objective evaluation of the performance of electrocatalysts for CO 2 reduction has been complicated by a lack of standardized methods for measuring and reporting activity data. In this perspective, we advocate that standardizing these practices can aid in advancing research efforts toward the development of efficient and selective CO 2 reduction electrocatalysts. Using information taken from experimental studies, we identify variables that influence the measured performance of CO 2 reduction electrocatalysts and propose procedures to improve the accuracy and reproducibility of reported data. We recommend that catalysts be measured under conditions which do not introduce artifacts from impurities, either from the electrolyte or counter electrode, and advocate the acquisition of data measured in the absence of mass transport effects.Furthermore, measured rates of electrochemical reactions should be normalized to both the geometric electrode area as well as the electrochemically active surface area to facilitate the comparison of reported catalysts with those previously known. We demonstrate that when these factors are accounted for, the CO 2 reduction activity of Ag and Cu measured in different laboratories exhibit little difference. Adoption of the recommendations presented in this perspective would greatly facilitate the identification of superior catalysts for CO 2 reduction arising solely from changes in their composition and pretreatment.

show abstract

Section: Benchmarking Electrocatalytic Performancementioning

confidence: 99%

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide

et al. 2018

View full text Add to dashboard Cite

show abstract

“…As noted earlier, limited experiments have been conducted that directly test the (211) versus (111) and (100) surfaces, and they have been largely focused on the ratio of C 2 :C 1 compounds formed at fixed current densities. [6][7][8][9][10] Since the current study is focused only on the thermodynamics of the transformation of CO 2 , it makes no prediction of these ratios (which will require a kinetic study). However, trends can be seen in the potential requirement to achieve 5 mA cm −2 , the fixed current used in these studies.…”

Section: ∆G(u ) = ∆G(0v) + Neumentioning

confidence: 99%

“…A number of experimental studies have examined the effect of the copper crystal surface on the electrochemical reduction of CO 2 [6][7][8][9][10]. These studies were largely focused on the ratio of C 2 :C 1 hydrocarbons formed at a constant current density, and did not contain information on the onset potentials of the various products of CO 2 reduction.…”

Section: Introductionmentioning

confidence: 99%

Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces

et al. 2011

View full text Add to dashboard Cite

Polycrystalline copper electrocatalysts have been experimentally shown to be capable of reducing CO 2 into CH 4 and C 2 H 4 with relatively high selectivity, and a mechanism has recently been proposed for this reduction on the fcc(211) surface of copper, which was assumed to be the most active facet. In the current work, we use computational methods to explore the effects of the nanostructure of the copper surface and compare the effects of the fcc(111), fcc(100) and fcc(211) facets of copper on the energetics of the electroreduction of CO 2 . The calculations performed in this study generally show that the intermediates in CO 2 reduction are most stabilized by the (211) facet, followed by the (100) facet, with the (111) surface binding the adsorbates most weakly. This leads to the prediction that the (211) facet is the most active surface among the three in producing CH 4 from CO 2 , as well as the by-products H 2 and CO. HCOOH production may be mildly enhanced on the more close-packed surfaces ( (111) and (100)) as compared to the (211) facet, due to a change in mechanism from a carboxyl intermediate to a formate intermediate. The results are compared to experimental data on these same surfaces; the predicted trends in voltage requirements are consistent between the experimental and computational data.

show abstract

“…[1][2][3][4][5] Copper electrode was experimentally found to be able to reduce CO 2 into hydrocarbons (methane and ethylene) uniquely, [6][7][8][9] and the reaction mechanisms were extensively investigated. [10][11][12][13][14][15] It was found that CO was not only the first reduced product but also a new starting species that could be further reduced to the final products of hydrocarbons. The rate-determining step was suggested to be the electron transfer to the adsorbed CO, and the adsorbed COH was proposed to be the crucial intermediate.…”

Section: Introductionmentioning

confidence: 99%

“…The rate-determining step was suggested to be the electron transfer to the adsorbed CO, and the adsorbed COH was proposed to be the crucial intermediate. [10][11][12][13][14][15] To advance our understanding of the experimental findings, density functional theory (DFT) calculations were employed widely for investigating the mechanisms in CO 2 reduction at the atomic level. [16][17][18][19][20][21][22][23][24][25] Norskov's group has developed a computational hydrogen electrode model to map out the free energy diagrams from CO 2 to CH 4 including about 40 elementary steps on Cu(111).…”

Section: Introductionmentioning

confidence: 99%

Electrochemical interfacial influences on deoxygenation and hydrogenation reactions in CO reduction on a Cu(100) surface

Sheng

Lin

Sun

2016

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

a Electroreduction of CO2 to hydrocarbons on copper surface has attracted much attention in the last decades for providing a sustainable way for energy store. During the CO2 and further CO electroreduction processes, the deoxygenation that is C-O bond dissociation, and hydrogenation that is C-H bond formation, are two main types of surface reactions catalyzed by copper electrode. In this work, by performing the state-of-the-art constrained ab initio molecular dynamics simulations, we have systematically investigated the deoxygenation and hydrogenation reactions involving two important intermediates, COHads and CHOads, under various conditions of (i) on Cu(100) surface without water molecules, (ii) at the water/Cu(100) interface and (iii) at the charged water/Cu(100) interface, in order to elucidate the electrochemical interfacial influences. It has been found that the electrochemical interface can facilitate considerably the C-O bond dissociation via changing the reaction mechanisms. However, the C-H bond formation has not been affected by the presence of water or electrical charge. Furthermore, the promotional roles of aqueous surrounding and negative electrode potential in the deoxygenation have been clarified, respectively. This fundamental study provides an atomic level insight into the significance of electrochemical interface towards electrocatalysis, which is of general importance in understanding electrochemistry.

show abstract

Adsorption of CO accompanied with simultaneous charge transfer on copper single crystal electrodes related with electrochemical reduction of CO2 to hydrocarbons

Cited by 218 publications

References 11 publications

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide

Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces

Electrochemical interfacial influences on deoxygenation and hydrogenation reactions in CO reduction on a Cu(100) surface

Contact Info

Product

Resources

About