dc.contributor.author | Iyengar, Pranit | |
dc.contributor.author | Kolb, Manuel J. | |
dc.contributor.author | Pankhurst, James R. | |
dc.contributor.author | Calle Vallejo, Federico | |
dc.contributor.author | Buonsanti, Raffaella | |
dc.date.accessioned | 2023-03-22T16:55:18Z | |
dc.date.available | 2023-03-22T16:55:18Z | |
dc.date.issued | 2021-10-18 | |
dc.identifier.citation | ACS Catalysis 11(21) : 13330-13336 (2021) | es_ES |
dc.identifier.issn | 2155-5435 | |
dc.identifier.uri | http://hdl.handle.net/10810/60455 | |
dc.description.abstract | In the CO2 reduction reaction, the design of electrocatalysts that selectively promote alcohols over hydrocarbons (e.g., ethanol over ethylene) hinges on the understanding of the pathways and specific sites that forms alcohols. Herein, theoretical considerations guide state-of-the-art synthesis of well-defined catalysts to show that higher selectivity toward ethanol is achieved on Cu(110) edge sites compared to Cu(100) terraces. Specifically, we study the catalytic behavior of Cu nano-cubes (Cucub) of different sizes in the framework of tandem catalysis with CO-producing Ag nanospheres. We predict and experimentally find that the smaller Cucub possess higher selectivity for ethanol in view of their larger edge-to-faces ratio and of the fact that ethylene is produced at terraces while ethanol is selectively produced at step edges. These results call for synthetic developments toward Cu nanostructures exposing only edge sites, such as hollow cubic nanocages, to further increase ethanol selectivity. More generally, this study encourages the application of well-defined nano catalysts as a bridge between theory and experiments in electrocatalysis. | es_ES |
dc.description.sponsorship | This work was financially supported by Gaznat S.A. J.R.P. acknowledges the H2020 Marie Curie Individual Fellowship grant SURFCAT with Agreement No. 837378. This publication was created as part of NCCR Catalysis, a National Centre of Competence in Research funded by the Swiss National Science Foundation. The theoretical effort was supported by Spanish MICIUN’s RTI2018-095460–B-I00, Ramón y Cajal RYC-2015-18996, and María de Maeztu MDM-2017-0767 Grants, and partly by Generalitat de Catalunya via 2017SGR13. M.J.K. and F.C.V. are thankful to Red Española de Supercomputación (RES) for supercomputing time at SCAYLE (Projects QS-2019-3-0018, QS-2019-2-0023, and QCM-2019-1-0034). The use of supercomputing facilities at SURFsara was sponsored by NWO Physical Sciences. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | ACS | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/837378 | 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.subject | CO2 electroreduction | es_ES |
dc.subject | theory-driven | es_ES |
dc.subject | copper cubes | es_ES |
dc.subject | silver | es_ES |
dc.subject | tandem | es_ES |
dc.subject | ethanol | es_ES |
dc.title | Theory-guided enhancement of CO2 reduction to ethanol on Ag-Cu tandem catalysts via particle-size effects | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | © 2021, American Chemical Society | es_ES |
dc.relation.publisherversion | https://pubs.acs.org/doi/10.1021/acscatal.1c03717 | es_ES |
dc.identifier.doi | 10.1021/acscatal.1c03717 | |
dc.contributor.funder | European Commission | |
dc.departamentoes | Polímeros y Materiales Avanzados: Física, Química y Tecnología | es_ES |
dc.departamentoeu | Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia | es_ES |