The surface and structural properties of graphite fluoride

Lazar, Petr; Otyepková, Eva; Karlický, František; Čépe, Klára; Otyepka, Michal

doi:10.1016/j.carbon.2015.07.064

Cited by 60 publications

(58 citation statements)

References 51 publications

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“…It was observed that the retention of hexagonal crystalline order for FG is similar to that of graphene with 1% expansion of the unit cell [31] , [36] , while the experimental lattice constant (α) of C 1 F 1 was found to be 2.48 Å, slightly larger than for graphene (2.46 Å). The value of the lattice parameter is in good agreement with the theoretical calculations (α = 2.48 Å), and it corresponds to the chair conformation with AA stacking sequence, the most stable structure [35] . The increase of FG’s lattice constant was expected because fluorination creates sp 3 C—C bonds, which are larger than the sp 2 -type bonding of graphene.…”

Section: Propertiessupporting

confidence: 84%

“…Exfoliation of multilayer materials is a well-established approach, which is successfully applied, e.g., for production of graphene nanosheets. In the liquid-phase exfoliation process, a solvent is used as an intercalating agent, weakening the van der Walls interactions [35] between the neighboring fluorographitic layers and resulting in the exfoliation of single or few-layer fluorographene from the pristine material ( Fig. 1 A).…”

Section: Synthesis Of Fluorinated Graphene and Fluorographenementioning

confidence: 99%

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Chemistry, properties, and applications of fluorographene

Chronopoulos

Bakandritsos

Pykal

et al. 2017

Applied Materials Today

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248

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Section: Propertiessupporting

confidence: 84%

Section: Synthesis Of Fluorinated Graphene and Fluorographenementioning

confidence: 99%

Chemistry, properties, and applications of fluorographene

Chronopoulos

Bakandritsos

Pykal

et al. 2017

Applied Materials Today

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248

171

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“…The dependence of the binding energy on the interlayer distance computed using the MBD@rsSCS and MBD@rsSCS/FI methods is compared with the RPA reference 80 in Fig. 6.…”

Section: Graphite Fluoridementioning

confidence: 99%

A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations

Gould

Lebègue

Ángyán

et al. 2016

J. Chem. Theory Comput.

112

152

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By explicitly including fractionally ionic contributions to the polarizability of a many-component system, we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical cost. For nonionic systems, our method is comparable in accuracy to existing approaches. However, it offers substantial improvements in ionic solids, e.g., producing better polarizabilities by over 65% in some cases. It has particular benefits for two-dimensional transition metal dichalcogenides and interactions of H with modified coronenes, ionic systems of nanotechnological interest. It thus offers an efficient improvement on existing approaches, valid for a wide range of systems.

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“…One of the key properties of fluorination of graphene is the lowering of its surface energy . Here the FGO‐coated copper substrates were studied for their wetting properties.…”

Section: Homo–lumo Gaps For Various Complexes 1 Au = 27 211 Evmentioning

confidence: 99%

Defluorination of Fluorographene Oxide via Solvent Interactions

Tadi

Bikkarolla

Bhorkar

et al. 2017

Part. Part. Syst. Charact.

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CommuniCation(1 of 7) 1600346 F in FG cannot stabilize the FG-ammonia structure. [4] Hence, it is important to develop a method for the large-scale controlled fluorination/defluorination of graphene/FG. [15,16] Conventional F doping level control in graphene relies on the tuning the amount of reagents or flow and time of the fluorination gases and process. [11,17] Mechanical exfoliation of graphite fluoride is the first method reported for FG synthesis while chemical exfoliation of various types of fluorographites resulting to FGO is pursued for its large-scale synthesis. [1,[18][19][20] Pumera and co-workers also reported the synthesis of dichlorocarbenefunctionalized fluorographene by the addition of dichlorocarbene to fluorographite and followed by its exfoliation. [21] Further, the concentration of F in FG/FGO can be decreased by the postsynthesis routes such as electron beam irradiation, [22,23] hydrothermal, [24] and ultrasonic treatments. [25] Recently, it has shown that the CF bonds can be removed (defluorination) by exposing fluorinated graphene to ultraviolet irradiation for long time in aromatic solvents such as toluene and benzene. [26] Further, another recent report explores the possibilities of defluorination by the solvent-based treatment of fluorinated graphene, where the semiionic CF bonds were removed from fluorinated graphene upon its treatment with dipolar solvents such as N-methyl-2-pyrolidinone via ultrasonication. [27] Here a simple defluorination technique for FGO using moderately polar solvents such as tetrahydrofuran (THF, which was not observed by Wang et al.), [27] a versatile water miscible solvent and a favorite carrier fluid for graphene-based paints, [28] is demonstrated and DFT studies are conducted to probe the interactions between solvents and FG/graphene. [29] The selective interaction of solvent with the CF bonds preserves almost all the other oxygen functionalities, and this in turn helps for the development of good quality functional coatings of FGO. The change in the visible light absorption by FGO upon defluorination is confirmed by its color change from white to dark, and the effect of defluorination in heterogeneous electron transport (HET) kinetics [30,31] is studied using inner and outer redox probes such as K 3 [Fe(CN) 6 ] and Ru(NH 3 ) 6 Cl 3 in 1 M KCl solution. This study has extended to the oxidation of biologically relevant molecules such as ascorbic acid (AA) and dopamine (DA) in phosphate buffered saline (PBS) solution using various F containing FGOs, and sensing of ammonia gas molecules by monitoring the changes in the electronic conductivity upon gas exposure is demonstrated.In order to understand the interactions between FG and various solvents, interactions of THF, toluene, isopropyl alcohol (IPA), carbon tetrachloride (CCl 4 ), and acetic acid (not shown here in the calculations) with FG were studied using DFT. The energy gaps (E g ) of the complexes were determined from the

show abstract

The surface and structural properties of graphite fluoride

Cited by 60 publications

References 51 publications

Chemistry, properties, and applications of fluorographene

Chemistry, properties, and applications of fluorographene

A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations

Defluorination of Fluorographene Oxide via Solvent Interactions

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