Modeling of Size Dependent Catalytic Activation Energies of Ag@Pd Spherical Core-Shell Nanoparticles

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dc.authoridSENTURK DALGIC, SERAP/0000-0003-2541-9214
dc.contributor.authorDalgic, Serap Senturk
dc.contributor.authorSerbes, Abbas
dc.date.accessioned2024-06-12T10:51:02Z
dc.date.available2024-06-12T10:51:02Z
dc.date.issued2020
dc.departmentTrakya Üniversitesien_US
dc.description7th International Advances in Applied Physics and Materials Science Congress and Exhibition (APMAS) -- APR 22-26, 2017 -- Fethiye, TURKEYen_US
dc.description.abstractThe core/shell materials have attracted enormous attention as potential applications in diverse areas in biosensors, catalysts, and energy storage systems. Recently, Ag-Pd core-shell nanoparticles (NPs) have been synthesized and shown their superior electro-catalytic activity of small sizes for fuel-cell applications. On this line, the size-dependent catalytic activation energies based on the thermodynamics continuum model have first applied for different sizes of AgcorePdshell spherical NPs as diameters of 4-20nm. We have created AgcorePdshell NPs by following two routes as (i) the constant Ag core size with increasing thicknesses of Pd shells, (ii) the constant Pd shell thicknesses with different Ag core sizes. By expressing the surface to volume ratio for each size of model NPs, the size-dependent melting temperature of spherical Ag@Pd NPs have obtained. It has found that the melting temperatures of Ag@Pd NPs are below than those of the melting points of bulk materials for pure elements. Thus the catalytic activation energies at their melting points have also computed. Both the melting points and catalytic activation energies of those NPs reduce with the mole fraction of Pd atoms decrease. Our results are agreeing with experiment and molecular dynamics simulations. (C) 2017 Elsevier Ltd. All rights reserved.en_US
dc.description.sponsorshipTrakya Universityen_US
dc.description.sponsorshipTrakya University supported this research.en_US
dc.identifier.endpage61en_US
dc.identifier.issn2214-7853
dc.identifier.scopus2-s2.0-85096955832en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage53en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/18208
dc.identifier.volume32en_US
dc.identifier.wosWOS:000580500100008en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofMaterials Today-Proceedingsen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAg-Pden_US
dc.subjectCore-Shell Nanoparticlesen_US
dc.subjectCatalytic Activation Energyen_US
dc.subjectMolecular Dynamics Simulationsen_US
dc.subjectBimetallic Nanoparticlesen_US
dc.subjectMelting Temperatureen_US
dc.titleModeling of Size Dependent Catalytic Activation Energies of Ag@Pd Spherical Core-Shell Nanoparticlesen_US
dc.typeConference Objecten_US

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