1. Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies
- Author
-
Seif O. Cholakh, Andrey I. Kukharenko, A. F. Zatsepin, Ernst Z. Kurmaev, Ivan S. Zhidkov, A. I. Slesarev, and Danil W. Boukhvalov
- Subjects
General Physics and Astronomy ,02 engineering and technology ,Applied Physics (physics.app-ph) ,OXIDATION ,DFT ,01 natural sciences ,X RAY PHOTOELECTRON SPECTRA ,law.invention ,Impurity ,law ,DENSITY FUNCTIONAL THEORY ,HIGH CATALYTIC PERFORMANCE ,BORON DEFECTS ,Condensed Matter - Materials Science ,Surfaces and Interfaces ,Physics - Applied Physics ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Surfaces, Coatings and Films ,INTERFACE ,ELECTROLYTIC REDUCTION ,OXYGEN REDUCTION REACTION ,Density functional theory ,0210 nano-technology ,GRAPHENE ,inorganic chemicals ,Materials science ,CORROSION RESISTIVITY ,Inorganic chemistry ,COPPER CORROSION ,chemistry.chemical_element ,FOS: Physical sciences ,ELECTRON EMISSION ,DEFECT DENSITY ,010402 general chemistry ,Corrosion ,X-ray photoelectron spectroscopy ,BORON-DOPED GRAPHENE ,Physics - Chemical Physics ,XPS ,DOPING ,X RAY PHOTOELECTRON SPECTROSCOPY ,CU SUBSTRATE ,COPPER SUBSTRATES ,Boron ,INTERFACES (MATERIALS) ,Chemical Physics (physics.chem-ph) ,Graphene ,DOPING (ADDITIVES) ,Materials Science (cond-mat.mtrl-sci) ,General Chemistry ,Copper ,BORON ,0104 chemical sciences ,chemistry ,CORROSION RESISTANT COATINGS ,Carbon - 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., 15 pages, 8 figures, to appear in Appl. Surf. Sci
- Published
- 2018