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Fabrication of a Highly Tunable Graphene Oxide Composite through Layer-by-Layer Assembly of Highly Crystalline Polyaniline Nanofibers and Green Corrosion Inhibitors: Complementary Experimental and First-Principles Quantum-Mechanics Modeling Approaches
journal contribution
posted on 2017-08-25, 00:00 authored by B. Ramezanzadeh, P. Kardar, G. Bahlakeh, Y. Hayatgheib, M. MahdavianThree-dimensional
graphene oxide (GO) nanosheets were utilized
as a unique versatile platform for the fabrication of an effective
anticorrosion system through a layer-by-layer (L-b-L) assembly technique. In this way, the highly ordered crystalline
polyaniline (Pani) nanofibers and green corrosion inhibitors (GIs)
were synthesized. Sustainable corrosion inhibitors were obtained from
the extract of Urtica Dioica leaves. The GO-Pani-GI
nanosheets were characterized by Fourier transform infrared spectroscopy,
high resolution–transmission electron microscopy, field-emission
scanning electron microscopy, UV–visible spectroscopy, and
thermal gravimetric analysis. In addition, the adsorption features
of Pani onto GO sheets and its binding propensity against GIs were
assessed by applying first-principles quantum-mechanics (QM) modeling
approaches. The anticorrosion properties of the GO-Pani-GI were then
examined using electrochemical impedance spectroscopy and polarization
test. The results achieved from QM modeling studies demonstrated that
the Pani strongly anchored to GO surfaces via physisorption mechanism.
Computations further declared that all GIs interacted with Pani through
intermolecular H-bonds. Moreover, the experimental investigations
revealed the superior anticorrosion performance of multilayered graphene
nanocomposites.
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Keywords
Green Corrosion Inhibitorsmodeling approachesanticorrosion propertiesassembly techniqueelectrochemical impedance spectroscopyphysisorption mechanismLayer-by-Layer Assemblygravimetric analysisUrtica Dioicacorrosion inhibitorsanticorrosion performanceGIs interactedGO-Pani-GI nanosheetsanticorrosion systemUVTunable Graphene Oxide CompositeSustainable corrosion inhibitorspolarization testfirst-principles quantum-mechanicsadsorption featuresfield-emission scanning electron microscopygraphene nanocompositesCrystalline Polyaniline NanofibersFirst-Principles Quantum-Mechanics Modeling Approaches Three-dimensional graphene oxidebinding propensityQM modeling studies
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