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  • Küçük Resim
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    Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide for the Dimethyl Amine Borane (DMAB) dehydrogenation at ambient conditions: An Experimental and Density Functional Theory Study
    (Nature Publishing Group, 2019) Sen, Betul; Aygun, Aysenur; Savk, Aysun; Calimli, Mehmet Harbi; Fellah, Mehmet Ferdi; Sen, Fatih
    In this paper, we present the synthesis, characterization, catalytic and computational studies of Composites of Platinum-Iridium Alloy Nanoparticles and Graphene Oxide (PtIr@GO) for dimethylamine borane (DMAB) dehydrogenation. The prepared PtIr@GO nanocatalysts were synthesized using an ethanol super-hydride method, and the characterization procedures for PtIr@GO alloy nanoparticles were carried out by various advanced spectroscopic methods like X-ray Diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Transmission Electron Microscopy(TEM) and high-resolution transmission electron microscopy (HRTEM). Additionally, catalytic activity, reusability, substrate concentration, and catalyst concentration experiments were performed for DMAB dehydrogenation catalyzed by PtIr@GO alloy nanomaterials. According to the results obtained in this study, PtIr@GO NPs catalyst was found to be active and reusable for the DMAB even at ambient conditions. Besides, DFT-B3LYP calculations have been utilized on PtIr@GO cluster to reveal the prepared catalyst activity. The calculated findings based on DFT was found to be a good agreement with experimental results.
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    Use of silica-based homogeneously distributed gold nickel nanohybrid as a stable nanocatalyst for the hydrogen production from the dimethylamine borane
    (Nature Publishing Group, 2020) Alptekin, Oznur; Sen, Betul; Savk, Aysun; Ercetin, Umran; Mustafov, Sibel Demiroglu; Fellah, Mehmet Ferdi
    In this study, the effects of silica-based gold-nickel (AuNi@SiO2) nanohybrid to the production of hydrogen from dimethylamine borane (DMAB) were investigated. AuNi@SiO2 nanohybrid constructs were prepared as nanocatalysts for the dimethylamine borane dehydrogenation. The prepared nanohybrid structures were exhibited high catalytic activity and a stable form. The resulting nanohybrid, AuNi@SiO2 as a nanocatalyst, was tested in the hydrogen evolution from DMAB at room temperature. The synthesized nanohybrids were characterized using some analytical techniques. According to the results of the characterization, it was observed that the catalyst was in nanoscale and the gold-nickel alloys showed a homogenous distribution on the SiO2 surface. After characterization, the turn over frequency (TOF) of nanohybrid prepared for the production of hydrogen from dimethylamine was calculated (546.9 h(-1)). Also, the prepared nanohybrid can be used non-observed a significant decrease in activity even after the fifth use, in the same reaction. In addition, the activation energy (Ea) of the reaction of DMAB catalyzed AuNi@SiO2 nanohybrid was found to be 16.653 +/- 1 kJ mol(-1) that facilitated the catalytic reaction. Furthermore, DFT-B3LYP calculations were used on the AuNi@SiO2 cluster to investigate catalyst activity. Computational results based on DFT obtained in the theoretical part of the study support the experimental data.