2011
DOI: 10.1103/physrevb.84.165424
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Surfactant effect of sulfuric acid on the exfoliation of bilayer graphene

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Cited by 17 publications
(14 citation statements)
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“…This can be explained since sulfuric acid molecules produced in the etching process by (NH 4 ) 2 S 2 O 8 are also reported to be absorbed by graphene. 28 Fermi levels for all the samples obtained here are on the order of several hundreds of meV. These values agree with the previously reported values for CVD-grown and transferred graphene.…”
Section: Resultssupporting
confidence: 92%
“…This can be explained since sulfuric acid molecules produced in the etching process by (NH 4 ) 2 S 2 O 8 are also reported to be absorbed by graphene. 28 Fermi levels for all the samples obtained here are on the order of several hundreds of meV. These values agree with the previously reported values for CVD-grown and transferred graphene.…”
Section: Resultssupporting
confidence: 92%
“…We have used the Density Functional Theory (DFT) formalism [47] within the Local Density Approximation (LDA) [48,49] as implemented in the Gaussian 09 [50] and Gaussian 16 [51] suites of programs. We have selected DFT for its balance between accuracy and computational effort, and have chosen LDA because it gives better results than gradient corrected approximations (GGAs) for graphitic systems [52][53][54] and because it has been previously used to successfully study the interaction between carbon nanostructures and several small molecules and atoms [55][56][57][58][59][60] as well as-very recently-graphene nanoribbons [61]. We have selected the 6-31G** basis set [62][63][64][65][66][67] that adds to the 6-31G set d-type and p-type Cartesian-Gaussian polarization functions and is commonly used for carbon nanostructures calculations.…”
Section: Methodsmentioning
confidence: 99%
“…This suggests that for GIC formation and oxidation the initial ability of the sulfuric acid to penetrate the graphite lattice is less important, but the mobility of the sulfuric acid between extended graphite sheets is the more decisive factor. To explore this idea, a series of ab initio molecular dynamics (MD) simulations were performed in order to determine the interaction of confined sulfuric acid molecules with the graphite lattice 36 and to probe how their mobility depends on the graphite stacking and the GIC oxidation state.…”
Section: Resultsmentioning
confidence: 99%