Highly monodispersed palladium-ruthenium alloy nanoparticles assembled on poly(N-vinyl-pyrrolidone) for dehydrocoupling of dimethylamine-borane: An experimental and density functional theory study

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dc.authorid0000-0001-6314-3365en_US
dc.authorid0000-0001-6314-3365en_US
dc.contributor.authorSen, Betul
dc.contributor.authorAygun, Aysenur
dc.contributor.authorFellah, Mehmet Ferdi
dc.contributor.authorCalimli, Mehmet Harbi
dc.contributor.authorSen, Fatih
dc.date.accessioned2021-03-20T20:12:35Z
dc.date.available2021-03-20T20:12:35Z
dc.date.issued2019
dc.departmentBTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description.abstractThis study reports on one of the best heterogeneous catalysts for the dehydrogenation of dimethylamineborane (DMAB). This new catalytic system consists of highly monodisperse Pd and Ru alloy nanoparticles supported by poly(N-vinyl-pyrrolidone) (PdRu@PVP). The prepared heterogeneous catalyst can be reproducibly formed using an ultrasonic reduction technique for DMAB dehydrogenation under mild conditions. For the characterization of PdRu@PVP nanomaterials, several spectroscopic and microscopic techniques were used. The prepared PdRu@PVP nanomaterials with an average particle size of 3.82 +/- 1.10 nm provided an 808.03 h(-1) turnover frequency (TOF) in the dehydrogenation of DMAB and yielded 100% of the cyclic product (Me2NBH2)(2) under mild conditions. Furthermore, the activities of catalysts were investigated theoretically using DFT-B3LYP calculations. The theoretical results based on density functional theory were in favorable agreement with the experimental data. (C) 2019 Elsevier Inc. All rights reserved.en_US
dc.description.sponsorshipDumlupinar University BAP, TurkeyDumlupinar University [2014-05]en_US
dc.description.sponsorshipThe authors thank Dumlupinar University BAP, Turkey (2014-05) for the financial support.en_US
dc.identifier.doi10.1016/j.jcis.2019.03.057en_US
dc.identifier.endpage91en_US
dc.identifier.issn0021-9797
dc.identifier.issn1095-7103
dc.identifier.pmid30903812en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage83en_US
dc.identifier.urihttp://doi.org/10.1016/j.jcis.2019.03.057
dc.identifier.urihttps://hdl.handle.net/20.500.12885/624
dc.identifier.volume546en_US
dc.identifier.wosWOS:000466054200009en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorFellah, Mehmet Ferdi
dc.language.isoenen_US
dc.publisherAcademic Press Inc Elsevier Scienceen_US
dc.relation.ispartofJournal Of Colloid And Interface Scienceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDehydrocoupling density functional theory (DFT)en_US
dc.subjectdimethylamine-borane (DMAB)en_US
dc.subjectMonodispersityen_US
dc.subjectPoly(N-vinyl-pyrrolidone) (PVP)en_US
dc.subjectturnover frequency (TOF)en_US
dc.titleHighly monodispersed palladium-ruthenium alloy nanoparticles assembled on poly(N-vinyl-pyrrolidone) for dehydrocoupling of dimethylamine-borane: An experimental and density functional theory studyen_US
dc.typeArticleen_US

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