Experimental and Computational Investigation of Hydrogen Evolution Reaction Mechanism on Nitrogen Functionalized Carbon Nanotubes

Simple item page
dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorTuomi, Samien_US
dc.contributor.authorPakkanen, Olli J.en_US
dc.contributor.authorBorghei, Maryamen_US
dc.contributor.authorKronberg, Rasmusen_US
dc.contributor.authorSainio, Janien_US
dc.contributor.authorKauppinen, Esko I.en_US
dc.contributor.authorNasibulin, Albert G.en_US
dc.contributor.authorLaasonen, Karien_US
dc.contributor.authorKallio, Tanjaen_US
dc.contributor.departmentDepartment of Chemistry and Materials Scienceen
dc.contributor.departmentDepartment of Bioproducts and Biosystemsen
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.groupauthorPhysical Characteristics of Surfaces and Interfacesen
dc.contributor.groupauthorComputational Chemistryen
dc.contributor.groupauthorBio-based Colloids and Materialsen
dc.contributor.groupauthorSurface Scienceen
dc.contributor.groupauthorNanoMaterialsen
dc.contributor.groupauthorElectrochemical Energy Conversionen
dc.date.accessioned2019-04-02T06:57:32Z
dc.date.available2019-04-02T06:57:32Z
dc.date.embargoinfo:eu-repo/date/embargoEnd/2019-09-08en_US
dc.date.issued2018-09-07en_US
dc.description.abstractDesigning earth-abundant element based efficient and durable electrocatalysts for hydrogen evolution reaction (HER) is attracting growing attention as the renewable electricity supply sector urgently needs sustainable methods for storing energy. Nitrogen functionalized carbon nanomaterials are an interesting electrocatalysts option because of their attractive electrical properties, excellent chemical stability and catalytic activity. Hence, this study reports the HER mechanism on nitrogen functionalized few-walled carbon nanotubes (N-FWCNT). With this earth-abundant element based catalyst 250mV overpotential is required to reach 10mAcm-2 current density and so its HER activity is comparable to other non-noble metal catalysts, and clearly among the highest previously reported for N-FWCNTs. To gain fundament insight on their functioning, computational analysis has been carried out to verify the effect of nitrogen and to analyze the reaction mechanism. The reaction mechanism has also been analyzed experimentally with a pH series, and both the methods suggest that the HER proceeds via the Volmer-Heyrovský mechanism. Overall hydrogen surface coverage on N-FWCNT is also suggested to affect the HER rate. Interestingly, in the studied structure, carbons in vicinity of nitrogen atoms, but not directly bound to nitrogen, appear to promote the HER most actively. Furthermore, durability of N-FWCNTs has been demonstrated by operating a full electrolyzer cell for five weeks.en
dc.description.versionPeer revieweden
dc.format.extent3872-3882
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationTuomi, S, Pakkanen, O J, Borghei, M, Kronberg, R, Sainio, J, Kauppinen, E I, Nasibulin, A G, Laasonen, K & Kallio, T 2018, ' Experimental and Computational Investigation of Hydrogen Evolution Reaction Mechanism on Nitrogen Functionalized Carbon Nanotubes ', ChemCatChem, vol. 10, no. 17, pp. 3872-3882 . https://doi.org/10.1002/cctc.201800479en
dc.identifier.doi10.1002/cctc.201800479en_US
dc.identifier.issn1867-3880
dc.identifier.otherPURE UUID: ce1bc556-6a10-4091-8a59-f24e1e31e1aben_US
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/ce1bc556-6a10-4091-8a59-f24e1e31e1aben_US
dc.identifier.otherPURE LINK: http://www.scopus.com/inward/record.url?scp=85050687755&partnerID=8YFLogxKen_US
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/32597278/CHEM_Tuomi_et_al_Experimental_and_Computational_2018_ChemCatChem.pdfen_US
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/37385
dc.identifier.urnURN:NBN:fi:aalto-201904022516
dc.language.isoenen
dc.publisherWiley - VCH Verlag GmbH & CO. KGaA
dc.relation.ispartofseriesChemCatChemen
dc.relation.ispartofseriesVolume 10, issue 17en
dc.rightsopenAccessen
dc.subject.keywordCarbon nanotubesen_US
dc.subject.keywordHydrogen evolution catalysisen_US
dc.subject.keywordHydrogen reduction mechanismen_US
dc.subject.keywordNitrogen dopingen_US
dc.titleExperimental and Computational Investigation of Hydrogen Evolution Reaction Mechanism on Nitrogen Functionalized Carbon Nanotubesen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
Files
Collections
[article-cris] Kemian tekniikan korkeakoulu / CHEM