Functional Single‐Layer Graphene Sheets from Aromatic Monolayers

Matei, Dan; Weber, Nils-Eike; Kurasch, Simon; Wundrack, Stefan; Woszczyna, M.; Grothe, Miriam; Weimann, Thomas; Ahlers, F. J.; Stosch, Rainer; Kaiser, Ute; Turchanin, Andrey

doi:10.1002/adma.201300651

Cited by 56 publications

(89 citation statements)

References 32 publications

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“…3. These states are not hypothetical or mere products of our classical molecular dynamics calculations: In experiment graphene forms indeed by heating the CNM [4,23], and the stripe order is also found in other calculations [8]. Therefore, we conjecture that the realistic CNM state is described by a local energy minimum, as in other disordered systems like for instance metal glasses [24–26], and this is an important conceptual ingredient of the modeling.…”

Section: Resultsmentioning

confidence: 57%

“…This has two reasons: BPT molecules self-assemble in various structures (hexagonal 2 × 2, herringbone, ) depending for instance on the metallic support [18–21]. But, maybe even more importantly, they rearrange in the process of irradiation in an uncontrolled manner (as they also do at elevated temperatures) [22–23]. Therefore, we investigated the initial arrangements on quadratic, triangular (corresponds to hexagonal 2 × 2), and herringbone lattices.…”

Section: Theoretical Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Classical molecular dynamics investigations of biphenyl-based carbon nanomembranes

Mrugalla¹,

Schnack²

2014

Beilstein J. Nanotechnol.

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Summary Background: Free-standing carbon nanomembranes (CNM) with molecular thickness and macroscopic size are fascinating objects both for fundamental reasons and for applications in nanotechnology. Although being made from simple and identical precursors their internal structure is not fully known and hard to simulate due to the large system size that is necessary to draw definite conclusions. Results: We performed large-scale classical molecular dynamics investigations of biphenyl-based carbon nanomembranes. We show that one-dimensional graphene-like stripes constitute a highly symmetric quasi one-dimensional energetically favorable ground state. This state does not cross-link. Instead cross-linked structures are formed from highly excited precursors with a sufficient amount of broken phenyls. Conclusion: The internal structure of the CNM is very likely described by a disordered metastable state which is formed in the energetic initial process of electron irradiation and depends on the process of relaxation into the sheet phase.

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Section: Resultsmentioning

confidence: 57%

Section: Theoretical Methodsmentioning

confidence: 99%

Classical molecular dynamics investigations of biphenyl-based carbon nanomembranes

Mrugalla¹,

Schnack²

2014

Beilstein J. Nanotechnol.

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“…These approaches may offer a high degree of control over the chemical and physical properties of the resulting materials and may furnish a direct access to tailored materials. However, the conversion of the precursors into carbon nanomaterials is typically performed at temperatures above 800 °C, which leads to a loss of the embedded chemical functionalization [24][25][26][27] .…”

Section: Introductionmentioning

confidence: 99%

Preparation of Carbon Nanosheets at Room Temperature

Schrettl

Schulte

Stefaniu

et al. 2016

JoVE

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Amphiphilic molecules equipped with a reactive, carbon-rich "oligoyne" segment consisting of conjugated carbon-carbon triple bonds selfassemble into defined aggregates in aqueous media and at the air-water interface. In the aggregated state, the oligoynes can then be carbonized under mild conditions while preserving the morphology and the embedded chemical functionalization. This novel approach provides direct access to functionalized carbon nanomaterials. In this article, we present a synthetic approach that allows us to prepare hexayne carboxylate amphiphiles as carbon-rich siblings of typical fatty acid esters through a series of repeated bromination and Negishi-type crosscoupling reactions. The obtained compounds are designed to self-assemble into monolayers at the air-water interface, and we show how this can be achieved in a Langmuir trough. Thus, compression of the molecules at the air-water interface triggers the film formation and leads to a densely packed layer of the molecules. The complete carbonization of the films at the air-water interface is then accomplished by crosslinking of the hexayne layer at room temperature, using UV irradiation as a mild external stimulus. The changes in the layer during this process can be monitored with the help of infrared reflection-absorption spectroscopy and Brewster angle microscopy. Moreover, a transfer of the carbonized films onto solid substrates by the Langmuir-Blodgett technique has enabled us to prove that they were carbon nanosheets with lateral dimensions on the order of centimeters. Video LinkThe video component of this article can be found at

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“…In this case, the graphene was obtained from the oxidative dehydrogenation (Scholl reaction) of the precursor, not altering its number of carbon atoms, but instead creating new bonds through the condensation of adjacent phenylbenzene moieties. Similar strategies were used, for example, to "graphenize" polyphenylene-based polymers, creating low-width graphene nanoribbons (GNRs) with lengths as large as 40 nm [11][12][13].…”

Section: Introductionmentioning

confidence: 99%

“…Surface-assisted examples involve precursor molecules with different complexities, from biphenyl self-assembled monolayers (SAMs) to dendritic oligophenylenes, and often require high temperatures or special metallic substrates [11].…”

Section: Introductionmentioning

confidence: 99%