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Electrochemical CO2 reduction in ionic liquids

2025-08-14Artigo científico Acesso aberto
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dc.contributor.authorFernandes, Inês S.
dc.contributor.authorMessias, Sofia
dc.contributor.authorMartins, Rodrigo
dc.contributor.authorMendes, Manuel J.
dc.contributor.authorReis-Machado, Ana S.
dc.contributor.institutionDCM - Departamento de Ciência dos Materiais
dc.contributor.institutionUNINOVA-Instituto de Desenvolvimento de Novas Tecnologias
dc.contributor.institutionCENIMAT-i3N - Centro de Investigação de Materiais (Lab. Associado I3N)
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.institutionLAQV@REQUIMTE
dc.contributor.pblIOP Publishing
dc.date.accessioned2025-09-01T22:06:20Z
dc.date.available2025-09-01T22:06:20Z
dc.date.issued2025-08-14
dc.descriptionFunding Information: This work received funding from FCT (Fundação para a Ciência e Tecnologia, I.P.) under the projects LA/P/0037/2020, UIDP/50025/2020 and UIDB/50025/2020 of the Associate Laboratory Institute of Nanostructures, Nanomodelling and Nanofabrication—i3N, and by the project CO2RED (DOI 10.54499/PTDC/EQU-EPQ/2195/2021). The work was also supported by the project M-ECO2—Industrial cluster for advanced biofuel production, Ref. C644930471-00000041, co-financed by PRR—Recovery and Resilience Plan of the European Union (Next Generation EU). The authors also acknowledge funding from the European Union via the projects X-STREAM (Horizon EU, ERC CoG, No. 101124803 DOI: https://doi.org/10.3030/101124803) and SolarWay (HORIZON-MSCA-2023-PF-01, No. 101148726 DOI: https://doi.org/10.3030/101148726). Publisher Copyright: © 2025 The Author(s). Published by IOP Publishing Ltd.
dc.description.abstractThe escalating pressure to mitigate CO2 emissions calls for novel approaches to produce sustainable fuels and chemicals, as means to close the anthropogenic cycle. This study fulfills a critical need in this field, through the development of modeling tools capable of guiding groundbreaking technical advances in liquid-phase electrochemical CO2 reduction (ECR). An unprecedented 3D model for porous cathodes was designed for the co-electrolysis of CO2 and water to produce syngas, particularly considering aqueous and ionic liquid (IL) electrolytes to increase CO2 solubility in the electrolyte while lowering its density and kinematic viscosity to boost ECR process performance. The structural parameters of the cathode, i.e. porosity and pores geometry, were investigated, together with the effects of operational parameters such as type of electrolyte, flow rate, temperature and pressure. A key outcome was the demonstration of a flow electrolytic system, coupled with an improved porous zinc cathode, capable of producing CO partial current densities of 231 mA cm−2 at −1.1 V vs. RHE, with a composition suitable for up-stream methane production (H2:CO ratio of 3:1), at 10 bar, 45 °C, and 10 mL min−1, reaching the threshold for industrial-relevant yields. Such results show that the combination of tailored IL-based electrolytes and advanced cathode design enables to greatly overcome mass transport limitations and improve reaction dynamics. These results open a new path towards the use of computational smart-search methods to improve the industrial implementation of ECR in liquid-phase.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent18
dc.format.extent2905744
dc.identifier.doi10.1088/2515-7655/adf6e5
dc.identifier.issn2515-7655
dc.identifier.otherPURE: 128438753
dc.identifier.otherPURE UUID: eeeab21f-4fa0-4da8-80aa-5c083370a67e
dc.identifier.otherScopus: 105013190314
dc.identifier.otherWOS: 001551444900001
dc.identifier.otherORCID: /0000-0002-7374-0726/work/190962657
dc.identifier.urihttp://hdl.handle.net/10362/187353
dc.identifier.urlhttps://www.scopus.com/pages/publications/105013190314
dc.identifier.urlhttps://www.webofscience.com/wos/woscc/full-record/WOS:001551444900001
dc.language.isoeng
dc.peerreviewedyes
dc.relationinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0037%2F2020/PT
dc.relationInstitute of Nanostructures, Nanomodelling and Nanofabrication
dc.relationInstitute of Nanostructures, Nanomodelling and Nanofabrication
dc.relationinfo:eu-repo/grantAgreement/FCT/Concurso de avaliação no âmbito do Programa Plurianual de Financiamento de Unidades de I&D (2017%2F2018) - Financiamento Base/UIDB%2F50025%2F2020/PT
dc.relationinfo:eu-repo/grantAgreement/FCT/Concurso de Projetos IC&DT em Todos os Domínios Científicos/PTDC%2FEQU-EPQ%2F2195%2F2021/PT
dc.relationhttps://doi.org/10.3030/101124803
dc.relationhttps://doi.org/10.3030/101148726
dc.subject3D finite-elements modeling
dc.subjectElectrochemical CO reduction
dc.subjectIonic liquid-based electrolytes
dc.subjectPorous cathodes
dc.subjectSustainable carbon-to-fuel conversion
dc.subjectMaterials Science (miscellaneous)
dc.subjectGeneral Energy
dc.subjectMaterials Chemistry
dc.titleElectrochemical CO2 reduction in ionic liquidsen
dc.title.subtitlea 3D modeling approachen
dc.typejournal article
degois.publication.firstPage1
degois.publication.issue4
degois.publication.lastPage18
degois.publication.titleJPhys Energy
degois.publication.volume7
dspace.entity.typePublication
oaire.awardNumberLA/P/0037/2020
oaire.awardNumberUIDP/50025/2020
oaire.awardNumberUIDB/50025/2020
oaire.awardNumberPTDC/EQU-EPQ/2195/2021
oaire.awardTitleInstitute of Nanostructures, Nanomodelling and Nanofabrication
oaire.awardTitleInstitute of Nanostructures, Nanomodelling and Nanofabrication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0037%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F50025%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/Concurso de avaliação no âmbito do Programa Plurianual de Financiamento de Unidades de I&D (2017%2F2018) - Financiamento Base/UIDB%2F50025%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/Concurso de Projetos IC&DT em Todos os Domínios Científicos/PTDC%2FEQU-EPQ%2F2195%2F2021/PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStreamConcurso de avaliação no âmbito do Programa Plurianual de Financiamento de Unidades de I&D (2017/2018) - Financiamento Base
oaire.fundingStreamConcurso de Projetos IC&DT em Todos os Domínios Científicos
project.funder.identifierhttp://doi.org/10.13039/501100001871
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project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccess
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