Atomistic insights on the pressure-induced multi-layer graphene to diamond-like structure transformation

Geng, Peng; Branı́cio, Paulo S.

doi:10.1016/j.carbon.2021.01.007

Cited by 17 publications

(9 citation statements)

References 49 publications

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“…Reactive molecular dynamics simulations revealed that bilayer GN could also undergo specific structural re-arrangements into a diamond-like structure [35]. These conversions are strongly dependent on the number of layers in the original few-layer GN and also on their mutual stacking.…”

Section: First Principle Calculations and Modelingmentioning

confidence: 99%

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Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Vejpravová

2021

Nanomaterials

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Carbon nanomaterials with a different character of the chemical bond—graphene (sp2) and nanodiamond (sp3)—are the building bricks for a new class of all-carbon hybrid nanomaterials, where the two different carbon networks with sp3 and sp2 hybridization coexist, interacting and even transforming into one another. The extraordinary physiochemical properties defined by the unique electronic band structure of the two border nanoallotropes ensure the immense application potential and versatility of these all-carbon nanomaterials. The review summarizes the status quo of sp2 – sp3 nanomaterials, including graphene/graphene-oxide—nanodiamond composites and hybrids, graphene/graphene-oxide—diamond heterojunctions, and other sp2–sp3 nanocarbon hybrids for sensing, electronic, and other emergent applications. Novel sp2–sp3 transitional nanocarbon phases and architectures are also discussed. Furthermore, the two-way sp2 (graphene) to sp3 (diamond surface and nanodiamond) transformations at the nanoscale, essential for innovative fabrication, and stability and chemical reactivity assessment are discussed based on extensive theoretical, computational and experimental studies.

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Section: First Principle Calculations and Modelingmentioning

confidence: 99%

“…On the contrary, for precursors with ABC and ABCAB types of stacking, the transformation is favored. Thus, the "stacking faults" present in the fewlayer GN with more complex stacking patterns promote the high-pressure conversion of multilayer GN to diamond [35].…”

Section: First Principle Calculations and Modelingmentioning

confidence: 99%

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Vejpravová

2021

Nanomaterials

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“…Surprisingly, the bond-chain-structure transformation mechanism is effective in three-layer graphene with ABC layer stacking and five-layer graphene with ABCAB layer stacking. Thus, the stacking faults are effective catalysts for the high-pressure transformation of multilayer graphene to diamond [16].…”

Section: First Principle Calculations and Modellingmentioning

confidence: 99%

Graphene – Diamond Nanomaterials: A Status Quo Review

Vejpravová¹

2021

Preprint

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Carbon nanomaterials with a different character of the chemical bond – graphene (sp2) and nanodiamond (sp3) are the building bricks for a new class of all-carbon hybrid nanomaterials, where the two different carbon networks with the sp3 and sp2 hybridization coexist, interact and even transform into one another. The unique electronic, mechanical, and chemical properties of the two border nanoallotropes of carbon ensure the immense application potential and versatility of these all-carbon graphene – diamond nanomaterials. The review gives an overview of the current state of the art of graphene – diamond nanomaterials, including their composites, heterojunctions, and other hybrids for sensing, electronic, energy storage, and other applications. Also, the graphene-to-diamond and diamond-to-graphene transformations at the nanoscale, essential for innovative fabrication, and stability and chemical reactivity assessment are discussed based on extensive theoretical, computational, and experimental studies.

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“…Then, as the strain increased, some nanosheets in DGNs start to rotate, resulting in the features of plastic softening with a lowered modulus. As shown in Figure b, new sp 3 bonds are formed due to the compression-induced contact of torn free edges . Further compression leads to a densification with a higher modulus and more sp 3 bonds.…”

mentioning

confidence: 95%

“…As shown in Figure 2b, new sp 3 bonds are formed due to the compression-induced contact of torn free edges. 29 Further compression leads to a densification with a higher modulus and more sp 3 bonds. Recent experiments reported that the highest compressive strength of microsized PyCs is 7.8−13.7 GPa when the micropillar diameter is smaller than 2.25 μm, 27 but that the compressive strength for other microsized PyCs with larger diameters is lower than 5.5 GPa.…”

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confidence: 99%

Micromechanical Landscape of Three-Dimensional Disordered Graphene Networks

Zhu

Wang

et al. 2021

Nano Lett.

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Disordered carbons can be considered under the modeling framework of disordered graphene networks (DGNs) due to the continuous three-dimensional connectivity and high graphitization. Correlating microstructures and mechanical behaviors of DGNs to their topology is pivotal to revealing more intrinsic features hidden by disorder. Herein, starting from basic deformations and topology, we investigate DGNs with various densities to explore their micromechanical landscape. Both the tension and shear of DGNs exhibit prolonged plastic platforms through local tearing of microstructures. However, compression displays special plastic damages of forming kinklike puckers and sp 3 -bonded carbon, resulting in a tension−compression asymmetry of DGNs. Out-of-plane topological defects contribute to the main negative-curvature topology in deformed DGNs. Moreover, there are novel scaling laws where both the Young's modulus and strength (logarithms) follow an inversely proportional scaling with respect to average angular defects. Ashby charts demonstrate that the mechanical properties of DGNs can reach the theoretical limit region, surpassing those of most conventional materials.

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Atomistic insights on the pressure-induced multi-layer graphene to diamond-like structure transformation

Cited by 17 publications

References 49 publications

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Graphene – Diamond Nanomaterials: A Status Quo Review

Micromechanical Landscape of Three-Dimensional Disordered Graphene Networks

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