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- Kostov Gueorguiev, Gueorgui, et al.
(författare)
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CF(x): A first-principles study of structural patterns arising during synthetic growth
- 2011
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Ingår i: Chemical Physics Letters. - : Elsevier. - 0009-2614 .- 1873-4448. ; 516:1-3, s. 62-67
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Tidskriftsartikel (refereegranskat)abstract
- Structural and bonding patterns arising from the incorporation of fluorine atoms in a graphene-like network relevant to the deposition of carbon fluoride (CF(x)) films were addressed by first-principles calculations. We find that large N-member (N = 8-12) rings, defects by sheet branching, and defects associated with bond rotation pertain to CF(x). The cohesive energy gains associated with these patterns are similar to 0.2-0.4 eV/at., which is similar to those for a wide range of defects in other C-based nanostructured solids. Fullerene-like CF(x) is predicted for F concentrations below similar to 10 at.%, while CF(x) compounds with higher F content are predominantly amorphous or polymeric.
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| 2. |
- Schmidt, Susann, et al.
(författare)
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CF(x) thin solid films deposited by high power impulse magnetron sputtering: Synthesis and characterization
- 2011
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Ingår i: Surface & Coatings Technology. - : Elsevier. - 0257-8972 .- 1879-3347. ; 206:4, s. 646-653
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Tidskriftsartikel (refereegranskat)abstract
- Fluorine containing amorphous carbon films (CF(x), 0.16 andlt;= x andlt;= 0.35) have been synthesized by reactive high power impulse magnetron sputtering (HiPIMS) in an Ar/CF(4) atmosphere. The fluorine content of the films was controlled by varying the CF(4) partial pressure from 0 mPa to 110 mPa at a constant deposition pressure of 400 mPa and a substrate temperature of 110 degrees C. The films were characterized regarding their composition, chemical bonding and microstructure as well as mechanical properties by applying elastic recoil detection analysis, X-ray photoelectron spectroscopy, Raman spectroscopy, transmission electron microscopy, and nanoindentation. First-principles calculations were carried out to predict and explain F-containing carbon thin film synthesis and properties. By geometry optimizations and cohesive energy calculations the relative stability of precursor species including C(2), F(2) and radicals, resulting from dissociation of CF4, were established. Furthermore, structural defects, arising from the incorporation of F atoms in a graphene-like network, were evaluated. All as-deposited CF(x) films are amorphous. Results from X-ray photoelectron spectroscopy and Raman spectroscopy indicate a graphitic nature of CF(x) films with x andlt;= 0.23 and a polymeric structure for films with x andgt;= 0.26. Nanoindentation reveals hardnesses between similar to 1 GPa and similar to 16 GPa and an elastic recovery of up to 98%.
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