Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102031
Title: Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies
Authors: Boukhvalov, D. W.
Zhidkov, I. S.
Kukharenko, A. I.
Slesarev, A. I.
Zatsepin, A. F.
Cholakh, S. O.
Kurmaev, E. Z.
Issue Date: 2018
Publisher: Elsevier B.V.
Citation: Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies / D. W. Boukhvalov, I. S. Zhidkov, A. I. Kukharenko, et al. — DOI 10.1016/j.apsusc.2018.02.074 // Applied Surface Science. — 2018. — Vol. 441. — P. 978-983.
Abstract: Two different types of boron-doped graphene/copper interfaces synthesized using two different flow rates of Ar through the bubbler containing the boron source were studied. X-ray photoelectron spectra (XPS) and optically stimulated electron emission (OSEE) measurements have demonstrated that boron-doped graphene coating provides a high corrosion resistivity of Cu-substrate with the light traces of the oxidation of carbon cover. The density functional theory calculations suggest that for the case of substitutional (graphitic) boron-defect only the oxidation near boron impurity is energetically favorable and creation of the vacancies that can induce the oxidation of copper substrate is energetically unfavorable. In the case of non-graphitic boron defects oxidation of the area, a nearby impurity is metastable that not only prevent oxidation but makes boron-doped graphene. Modeling of oxygen reduction reaction demonstrates high catalytic performance of these materials. © 2018 Elsevier B.V.
Keywords: BORON
DFT
DOPING
GRAPHENE
INTERFACE
XPS
BORON
COPPER CORROSION
CORROSION RESISTANT COATINGS
DEFECT DENSITY
DENSITY FUNCTIONAL THEORY
DOPING (ADDITIVES)
ELECTROLYTIC REDUCTION
ELECTRON EMISSION
INTERFACES (MATERIALS)
OXIDATION
X RAY PHOTOELECTRON SPECTROSCOPY
BORON DEFECTS
BORON-DOPED GRAPHENE
COPPER SUBSTRATES
CORROSION RESISTIVITY
CU SUBSTRATE
HIGH CATALYTIC PERFORMANCE
OXYGEN REDUCTION REACTION
X RAY PHOTOELECTRON SPECTRA
GRAPHENE
URI: http://hdl.handle.net/10995/102031
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85042066272
PURE ID: 6509875
959e4386-4208-406d-86e9-eae62726c12b
ISSN: 1694332
DOI: 10.1016/j.apsusc.2018.02.074
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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