Composition-dependent hydrogen evolution performance of Au-Pt nanoparticles: Correlating catalytic activity and first-principles calculations

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dc.authoridKaya, Dogan/0000-0002-6313-7501
dc.authoridSevik, Cem/0000-0002-2412-9672
dc.authoridIsik, Hasan Huseyin/0000-0001-5172-8200
dc.authoridadanur, iis/0000-0002-0160-5074
dc.contributor.authorKaya, Dogan
dc.contributor.authorDemiroglu, Ilker
dc.contributor.authorIsik, Ilknur Baldan
dc.contributor.authorIsik, Hasan Huseyin
dc.contributor.authorTayfun, Emre Can
dc.contributor.authorAdanur, Idris
dc.contributor.authorAkyol, Mustafa
dc.contributor.authorSevik, Cem
dc.contributor.authorKaradag, Faruk
dc.contributor.authorEkicibil, Ahmet
dc.date.accessioned2026-02-27T07:33:32Z
dc.date.available2026-02-27T07:33:32Z
dc.date.issued2026
dc.description.abstractIn this study, a series of Au-Pt bimetallic nanoparticles (NPs) with varying compositions (Au, Au-3-Pt-1, Au-1-Pt-1, Au-1-Pt-3) were synthesized via a modified polyol method and systematically investigated for their structural, morphological, and electrocatalytic properties toward the hydrogen evolution reaction (HER). Rietveld refinement of powder XRD data revealed a progressive lattice contraction, crystallite size reduction, and increasing microstrain with increasing Pt content, indicating partial alloying and phase segregation. High-resolution TEM and HAADF-EDS mapping confirmed the formation of core-shell, ball-cup, or Janus-type nanostructures, with Pt preferentially located at the periphery of Au-rich cores. DFT calculations corroborated the experimental findings, revealing negative excess energies for these morphologies and identifying ball-cup and Janus configurations as energetically favorable at equiatomic and Pt-rich compositions in Au-Pt nanoalloys. Electrochemical measurements in 1 M KOH showed enhanced HER activity for bimetallic systems, with Au-1-Pt-1 exhibiting the lowest overpotential (9 mV at 25 mA cm(-2)), and Au-1-Pt-3 demonstrating the highest specific (70.35 mA cm(-2)) and mass (268.56 mA mgPt(-1)) activities. Tafel slope analyses and turnover frequency calculations confirmed improved kinetics and Pt utilization efficiency. The superior stability over 500 CV cycles and favorable hydrogen adsorption energetics, as supported by DFT, highlight the potential of Au-Pt nanostructures as high-performance, durable HER electrocatalysts.
dc.description.sponsorshipukurova University, Adana, Turkey [FBA-2023-15712]; Scientific and Techno-logical Research Council of Turkey [BAP 25ADP121, 23ADP151]; Eskisehir Technical University [BAP 25ADP121, 23ADP151]
dc.description.sponsorshipThis work was financially supported by Cukurova University, Adana, Turkey, under Scientific Research Funding Grand No: FBA-2023-15712. The author I. D. also acknowledges support by Scientific and Technological Research Council of Turkey (TUBITAK 122Z736) and by Eskisehir Technical University (BAP 25ADP121 and 23ADP151) .
dc.identifier.doi10.1016/j.ijhydene.2025.153001
dc.identifier.issn0360-3199
dc.identifier.issn1879-3487
dc.identifier.urihttp://dx.doi.org/10.1016/j.ijhydene.2025.153001
dc.identifier.urihttps://hdl.handle.net/20.500.14669/4627
dc.identifier.volume203
dc.identifier.wosWOS:001651435100001
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherPergamon-Elsevier Science Ltd
dc.relation.ispartofInternational Journal of Hydrogen Energy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20260302
dc.subjectAu-Pt nanoparticles
dc.subjectModified polyol method
dc.subjectHER catalysis
dc.subjectDFT
dc.titleComposition-dependent hydrogen evolution performance of Au-Pt nanoparticles: Correlating catalytic activity and first-principles calculations
dc.typeArticle

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