Reduction of CO2 and CO to methane on Cu foil electrodes

Kim, J.J.; Summers, David P.; Frese, Karl W.

doi:10.1016/0022-0728(88)80071-8

Cited by 175 publications

(134 citation statements)

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“…Although the conversion mechanism of CO 2 to liquid fuels is not very clear at present but it is widely accepted that CO 2 is first reduced to CO and then it is further converted to alcohols and other hydrocarbons through multistep electron transfer pathways. Earlier studies have found that CO reduction on Cu results in similar products as obtained from CO 2 reduction, proposing that CO was an intermediate in the reduction of CO 2 (44)(45)(46).…”

Section: Introductionmentioning

confidence: 69%

RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

Abbas

Ullah

Ali

et al. 2016

Green Chemistry Letters and Reviews

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The increasing atmospheric levels of carbon dioxide (CO 2 ) must be controlled or better reverted to avoid undesirable climate changes. The electrochemical reduction of CO 2 into hydrocarbons is the best approach to solve this problem because it will recycle the 'spent' CO 2 , known as carbon neutral cycle, and will probably be able to remit the energy crises. Nanostructured copper is a novel material known for the efficient and selective reduction of CO 2 into hydrocarbons. This review attempts to summarize the recent development of enlarged surface area nanostructured copper for the efficient reduction of CO 2 into hydrocarbons using renewable energy resources at low overpotentials. The effects of different reaction conditions (e.g. applied potential, CO 2 concentration and electrode surface) on the products and some relationships between these conditions and products are discussed here. Latest achievements in the CO 2 electroreduction technology, remaining challenges and perspective research directions for practical applications are also presented. ARTICLE HISTORY

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Section: Introductionmentioning

confidence: 69%

RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

Abbas

Ullah

Ali

et al. 2016

Green Chemistry Letters and Reviews

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“…[7][8][9] To understand these observations, the reaction mechanisms have extensively been investigated using many methods. [10][11][12][13][14][15] The rate-determining step was suggested to be the electron transfer to the adsorbed CO, and the adsorbed COH was identified to be the crucial intermediate in the electroreduction of CO 2 . [10][11][12][13][14][15] Recently, density functional theory (DFT) calculations were widely used for understanding the heterogeneous catalysis at atomic and molecular levels.…”

Section: Introductionmentioning

confidence: 99%

“…[10][11][12][13][14][15] The rate-determining step was suggested to be the electron transfer to the adsorbed CO, and the adsorbed COH was identified to be the crucial intermediate in the electroreduction of CO 2 . [10][11][12][13][14][15] Recently, density functional theory (DFT) calculations were widely used for understanding the heterogeneous catalysis at atomic and molecular levels. [16][17][18][19][20][21] Norskov's group has developed a computational hydrogen electrode model to map out the free energy diagrams from CO 2 to CH 4 included about 40 elementary steps on Cu(111).…”

Section: Introductionmentioning

confidence: 99%

Insight into CO Activation over Cu(100) under Electrochemical Conditions

Sheng

Wang

Lin

et al. 2016

Electrochimica Acta

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Sun, Insight into CO Activation over Cu(100) under Electrochemical Conditions, Electrochimica Acta http://dx.doi.org/10. 1016/j.electacta.2016.01.037 This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. (ii) For the formation of COH ads , the reaction energy is endothermic by 0.34 eV and the free energy barrier is 0.38 eV, and the feasible route of proton transfer is illustrated. Insight into CO Activation over Cu(100) under Electrochemical Conditions(iii) A linear relationship is revealed between the C-O bond distance and the negative charge in CO.(iv) The formation of CHO ads is endothermic by 0.46 eV with the free energy barrier of 0.64 eV. Before the coupling, H adsorbs first with a reaction energy of -0.24 eV and the free energy barrier of 0.56 eV.(v) The formation of COH ads has been found to be more favorable than that of CHO ads kinetically, but CHO ads has been shown to be more stable thermodynamically. AbstractThe reduction of CO 2 on copper electrodes has attracted great attentions in the last decades, since it provides a sustainable approach for energy restore. During the CO 2 reduction process, the electron transfer to CO ads is experimentally suggested to be the crucial step. In this work, we examine two possible pathways in CO activation, i.e. to generate COH ads and CHO ads , respectively, by performing the state-of-the-art constrained ab initio molecular dynamics simulations on the charged Cu (100) electrode under aqueous conditions, which is close to the realistic electrochemical condition. The free energy profile in the formation of COH ads via the coupled proton and electron transfer is plotted. Furthermore, by Bader charge analyses, a linear relationship between C-O bond distance and the negative charge in CO fragment is unveiled. The formation of CHO ads is identified to be a surface catalytic reaction, which requires the adsorption of H atom on the surface first. By comparing these two pathways, we demonstrate that kinetically the formation of COH ads is more favored than that of CHO ads , while CHO ads is thermodynamically more stable. This work reveals that CO activation via COH ads intermediate is an important pathway in electrocatalysis, which could provide some insights into CO 2 electroreduction over Cu electrodes.

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“…[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.

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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.

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Reduction of CO2 and CO to methane on Cu foil electrodes

Cited by 175 publications

References 12 publications

RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

Insight into CO Activation over Cu(100) under Electrochemical Conditions

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

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Reduction of CO2 and CO to methane on Cu foil electrodes

Cited by 175 publications

References 12 publications

RETRACTED ARTICLE: An overview of CO2 electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

RETRACTED ARTICLE: An overview of CO2 electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

Insight into CO Activation over Cu(100) under Electrochemical Conditions

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

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Product

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RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts

RETRACTED ARTICLE: An overview of CO₂ electroreduction into hydrocarbons and liquid fuels on nanostructured copper catalysts