Sandwiched graphene-fullerene composite: A novel 3-D nanostructured material for hydrogen storage

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dc.authorid0000-0001-7583-7655
dc.contributor.authorÖztürk, Zeynel
dc.contributor.authorBaykasoğlu, Cengiz
dc.contributor.authorKırca, Mesut
dc.date.accessioned2019-05-13T08:57:18Z
dc.date.available2019-05-13T08:57:18Z
dc.date.issued2016
dc.departmentHitit Üniversitesi, Mühendislik Fakültesi, Makine Mühendisliği Bölümü
dc.description.abstractThe main objective of this paper is to investigate hydrogen storage capacity of a novel carbon based nanoporous material composition that is built up by covalently sandwiched fullerene units between parallel graphene sheets. Owing to its micro and meso porous morphology, the recently proposed sandwich-structured material has high surface/weight ratios and superior structural stability. The three-dimensional atomistic models of the sandwiched nanocomposite structures are generated by covalently fusing fullerene units randomly dispersed between the graphene layers which are stacked on each other in a layerwise manner by applying the heat welding method via molecular dynamic simulations. Hydrogen adsorption properties of sandwiched structures are investigated using grand canonical Monte Carlo calculations. Different fullerene types (i.e. C180, C320 and C540) are considered in simulations as sandwich core. The effects of lithium doping on the hydrogen storage performance of the proposed structures are also investigated in simulations. The simulation results show that a lithium-doped sandwiched structure with doping ratio of Li:C = 1:8 can overpass the gravimetric capacity of 5% while an undoped structure can reach the value of 3.83% at 77 K and 1 bar, which underlines the significant hydrogen storage potential of the proposed nanostructured material. Copyright © 2016 Hydrogen Energy Publications, LLC.
dc.identifier.citationÖztürk, Z., Baykasoğlu, C., Kırca, M. (2016). Sandwiched graphene-fullerene composite: a novel 3-D nanostructured material for hydrogen storage. International Journal of Hydrogen Energy, 41(15), 6403-6411.
dc.identifier.doi10.1016/j.ijhydene.2016.03.042
dc.identifier.endpage6411en_US
dc.identifier.issn0360-3199
dc.identifier.issue15en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage6403en_US
dc.identifier.urihttps://doi.org/10.1016/j.ijhydene.2016.03.042
dc.identifier.urihttps://hdl.handle.net/11491/893
dc.identifier.volume41en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Ltd
dc.relation.ispartofInternational Journal of Hydrogen Energy
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectGrand Canonical Monte Carlo Simulationsen_US
dc.subjectGraphene-Fullerene Compositeen_US
dc.subjectHydrogen Storageen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectNanoporous Materialen_US
dc.titleSandwiched graphene-fullerene composite: A novel 3-D nanostructured material for hydrogen storage
dc.typeArticle

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