dc.contributor.author | Rendón-Calle, Alejandra | |
dc.contributor.author | Low, Qi Hang | |
dc.contributor.author | Hong, Samantha Hui Lee | |
dc.contributor.author | Builes, Santiago | |
dc.contributor.author | Yeo, Boon Siang | |
dc.contributor.author | Calle Vallejo, Federico | |
dc.date.accessioned | 2023-03-22T16:41:28Z | |
dc.date.available | 2023-03-22T16:41:28Z | |
dc.date.issued | 2020-12-28 | |
dc.identifier.citation | Applied Catalysis B: Environmental 285 : (2021) // Article ID 119776 | es_ES |
dc.identifier.issn | 0926-3373 | |
dc.identifier.issn | 1873-3883 | |
dc.identifier.uri | http://hdl.handle.net/10810/60454 | |
dc.description.abstract | The deactivation of copper electrodes is a serious problem that can affect the scalability and deployment of CO2 electrolyzers. The effect is generally attributed to the cathodic deposition of Fe and Zn impurities from the electrolyte. Herein, an experimental-theoretical study shows the existence of potential- and facet-dependent pathways for CO2 reduction to CH4 on Cu. The small-overpotential pathway deactivates the electrodes, while the large-overpotential pathway does not. Theoretical modeling traces the origin of the deactivation to *COH and *CHO, the two *CO hydrogenation products. *COH, which reduces to *C (precursor to coke), is more stable than *CHO around the equilibrium potential, but its symmetry factor is smaller. Hence, the *COH-based coking pathway opens first until the potential is negative enough for the *CHO-based pathway to dominate. This highlights the often-neglected role of symmetry factors in electrocatalysis design and suggests that small increases in *CHO’s symmetry factor can mitigate Cu deactivation. | es_ES |
dc.description.sponsorship | This work was supported by Universidad EAFIT through project 690-000048 and the National University of Singapore (R-143-000-B52-114). QHL thanks theSolar Energy Research Institute of Singapore (SERIS) for financial support. F.C.-V acknowledges funding from Spanish MICIUN RTI2018-095460-B-I00, Ramón y Cajal RYC-2015-18996 and María de Maeztu MDM-2017-0767 grants and, in part, by Generalitat de Catalunya 2017SGR13. The use of supercomputing facilities at SURFsara was sponsored by NWO Physical Sciences, with financial support by NWO. This research used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. The authors also acknowledge supercomputing resources of the Centro de Computación Científica Apolo at Universidad EAFIT (http://www.eafit.edu.co/apolo). We also thank Red Española de Supercomputación (RES) for supercomputing time at SCAYLE (projects QS-2019-3-0018, QS-2019-2-0023 and QCM-2019-1-0034). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICIUN/RTI2018-095460-B-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ | * |
dc.subject | CO2 electroreduction | es_ES |
dc.subject | copper | es_ES |
dc.subject | competing reaction mechanisms | es_ES |
dc.subject | deactivation | es_ES |
dc.subject | symmetry factor | es_ES |
dc.title | How symmetry factors cause potential- and facet-dependent pathway shifts during CO2 reduction to CH4 on Cu electrodes | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © 2020 This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ | es_ES |
dc.relation.publisherversion | https://www.sciencedirect.com/science/article/pii/S0926337320311930 | es_ES |
dc.identifier.doi | 10.1016/j.apcatb.2020.119776 | |
dc.departamentoes | Polímeros y Materiales Avanzados: Física, Química y Tecnología | es_ES |
dc.departamentoeu | Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia | es_ES |