Experimental and Theoretical Investigation of Ammonia Borane Dehydrogenation Using an Aniline-Enhanced Ru Nanocatalyst

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dc.contributor.authorIzgi, Mehmet Sait
dc.contributor.authorSahin, Omer
dc.contributor.authorOnat, Erhan
dc.contributor.authorEnisoglu, Muhammed
dc.contributor.authorCelik, Fatih Ahmet
dc.contributor.authorKarabulut, Ezman
dc.date.accessioned2026-10-23T18:14:14Z
dc.date.available2026-10-23T18:14:14Z
dc.date.issued2026
dc.departmentSiirt Üniversitesi
dc.description.abstractThis study aimed to synthesize carbon quantum dots (CQDs) through the interaction of carboxyl (-COOH) and amino (-NH2) groups and to investigate experimentally and theoretically hydrogen (H2) production efficiency from ammonia borane (AB) hydrogen source using this CQDs structure with ruthenium (Ru) catalyst support material. CQDs were obtained by the hydrothermal method from aniline (A) and trichloroacetic acid (TCA) under weak base-acid coupling. A heterogeneous Ru@ATCA catalyst is developed using Ru metal nanoclusters decorated on CQDs. The development process is characterized by advanced analytical methods (UV, PL, BET, ICP-OES, TEM, XPS, XRD). As a result of the AB catalytic reaction at 298 K, a very high Hydrogen Production Rate (HGR) of 102.1 L/g.min and a catalyst cycle frequency (TOF) of 356 min-1 are obtained. The reaction proceeds in a first-order manner, with activation energy (Ea) of 22.3 kJ/mol, activation enthalpy and entropy of 19.65 and -29.95 J/mol, respectively. The mesoporous structures under this interaction, the increase in active surface area increases H2 production efficiency by providing lower viscosity for both AB hydrolysis and the surrounding molecular groups. The H2 production efficiency is compared with GFN1xTB modeling. According to modeling, the Ru activity of the weak acid TCA alone has a weaker catalytic effect than the Ru activity resulting from its interaction with the weak base aniline molecule, demonstrating the importance of the weak acid and weak base interactions.
dc.description.sponsorshipSiirt university [2024-SIdot;FBE-028]; Bitlis Eren niversitesi [BEBAP 2024.20] -- This study was supported by the Bitlis Eren Universitesi (Grant BEBAP 2024.20), and Siirt university (Grant 2024-S & Idot;UFBE-028).
dc.identifier.doi10.1002/cnma.70334
dc.identifier.issn2199-692X
dc.identifier.issue8
dc.identifier.orcid0000-0003-3685-3219
dc.identifier.scopus2-s2.0-105046156910
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1002/cnma.70334
dc.identifier.urihttps://hdl.handle.net/20.500.12604/12346
dc.identifier.volume12
dc.identifier.wosWOS:001835713700001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofChemnanomat
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20261017
dc.subjectAmmonia Borane
dc.subjectAniline
dc.subjectCarbon Quantum Dots
dc.subjectGfn1Xtb
dc.subjectRu Nanoparticles
dc.subjectTrichloroacetic Acid
dc.titleExperimental and Theoretical Investigation of Ammonia Borane Dehydrogenation Using an Aniline-Enhanced Ru Nanocatalyst
dc.typeArticle

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