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

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Tuomi, Sami
dc.contributor.author Pakkanen, Olli J.
dc.contributor.author Borghei, Maryam
dc.contributor.author Kronberg, Rasmus
dc.contributor.author Sainio, Jani
dc.contributor.author Kauppinen, Esko I.
dc.contributor.author Nasibulin, Albert G.
dc.contributor.author Laasonen, Kari
dc.contributor.author Kallio, Tanja
dc.date.accessioned 2019-04-02T06:57:32Z
dc.date.available 2019-04-02T06:57:32Z
dc.date.issued 2018-09-07
dc.identifier.citation Tuomi , 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.201800479 en
dc.identifier.issn 1867-3880
dc.identifier.other PURE UUID: ce1bc556-6a10-4091-8a59-f24e1e31e1ab
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/experimental-and-computational-investigation-of-hydrogen-evolution-reaction-mechanism-on-nitrogen-functionalized-carbon-nanotubes(ce1bc556-6a10-4091-8a59-f24e1e31e1ab).html
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=85050687755&partnerID=8YFLogxK
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/37385
dc.description.abstract Designing 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 experimentallywith 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.format.extent 3872-3882
dc.language.iso en en
dc.publisher Wiley - VCH Verlag GmbH & CO. KGaA
dc.relation.ispartofseries ChemCatChem en
dc.relation.ispartofseries Volume 10, issue 17 en
dc.rights embargoedAccess en
dc.subject.other Catalysis en
dc.subject.other Physical and Theoretical Chemistry en
dc.subject.other Organic Chemistry en
dc.subject.other Inorganic Chemistry en
dc.subject.other 116 Chemical sciences en
dc.title Experimental and Computational Investigation of Hydrogen Evolution Reaction Mechanism on Nitrogen Functionalized Carbon Nanotubes en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Physical Charactristics of Surfaces and Interfaces
dc.contributor.department Department of Chemistry and Materials Science
dc.contributor.department Department of Bioproducts and Biosystems
dc.contributor.department Department of Applied Physics
dc.subject.keyword Carbon nanotubes
dc.subject.keyword Hydrogen evolution catalysis
dc.subject.keyword Hydrogen reduction mechanism
dc.subject.keyword Nitrogen doping
dc.subject.keyword Catalysis
dc.subject.keyword Physical and Theoretical Chemistry
dc.subject.keyword Organic Chemistry
dc.subject.keyword Inorganic Chemistry
dc.subject.keyword 116 Chemical sciences
dc.identifier.urn URN:NBN:fi:aalto-201904022516
dc.identifier.doi 10.1002/cctc.201800479
dc.date.embargo info:eu-repo/date/embargoEnd/2019-09-08

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