Deformation and instability of three-dimensional graphene honeycombs under in-plane compression: Atomistic simulations

Cao, Luoxia; Fan, Fenliang

doi:10.1016/j.eml.2020.100861

Cited by 10 publications

(11 citation statements)

References 35 publications

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“…1, the SEM results of the fabricated 3D AFC show that the ultra-thin and curved carbon sheets are interconnected to form a porous three-dimensional network structure, and the pore structure size is 50-80 nm. In addition, good three-dimensional pore network structure is conducive to improve the adsorption performance (Cao et al 2020).…”

Section: Characterization Of the 3d Afc Before And After Pb 2+ Adsoprtionmentioning

confidence: 99%

“…The effect of ionic strength on Pb 2+ adsorption was also tested. When pH value is within 3-10, the adsorption of Pb 2+ on the 3D AFC surface is not determined by the boundary ionic strength (NaCl) of 0.001-0.05 mol/L, showing that the adsorption of Pb 2+ on the 3D AFC forms an inner ring complex (Wan et al 2019;Cao et al 2020).…”

Section: The Effect Of Contact Time On Adsorptionmentioning

confidence: 99%

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Effective removal of Pb2+ from oral medical wastewater via an activated three-dimensional framework carbon (3D AFC)

Song

Wang

et al. 2021

Appl Water Sci

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Oral medical wastewater with heavy metal ions (such as plumbum, Pb2+) is regarded as the main pollutant produced in the oral cavity diagnosis, and the treatment process can pose a serious threat to human health. The removal of Pb2+ from oral medical wastewater facing major difficulties and challenges. Therefore, it is of great significance to take effective measures to remove Pb2+ by using effective methods. A new activated three-dimensional framework carbon (3D AFC), regarded as the main material to remove Pb2+ in the oral medical wastewater, has been fabricated successfully. In this experiment, the effects of 3D AFC absorbing Pb2+ under different conditions (including solid-to-liquid ratio, pH, ionic strength, contact time, and initial concentration, etc.) were discussed. And the result revealed that the adsorption kinetics process of Pb2+ on 3D AFC conformed to the pseudo-second-order model and the adsorption isotherm conformed to the Freundlich model. Under the condition that pH = 5.5 and T = 298 k, the calculated maximum adsorption capacity of 3D AFC for Pb2+ was 270.88 mg/g. In practical application, it has strong adsorption ability for Pb2+ in oral medical wastewater. Thus, 3D AFC shows promise for Pb2+ remove and recovery applications because of high adsorption capacity for Pb2+ in oral medical wastewater due to its high specific surface area, outstanding three-dimensional network structure.

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Section: Characterization Of the 3d Afc Before And After Pb 2+ Adsoprtionmentioning

confidence: 99%

Section: The Effect Of Contact Time On Adsorptionmentioning

confidence: 99%

Effective removal of Pb2+ from oral medical wastewater via an activated three-dimensional framework carbon (3D AFC)

Song

Wang

et al. 2021

Appl Water Sci

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“…The authors also reported that in tensile loading in armchair direction, CHCs present a zero‐stiffness behavior. Cao and Fan [ 23 ] investigated the in‐plane uniaxial compressive responses of CHC and found that, in the armchair direction, the CHC exhibits an initial linear response in stress–strain curves, while, in zigzag direction, the response is mainly nonlinear, with abrupt stress drop characteristic of shear‐type instabilities. Du et al, [ 14 ] using MD, studied the influence of cell defects on the mechanical properties of CHC and found that, while the Young's modulus is almost independent of defect concentration, both tensile strength and fracture strain can be severely reduced by increasing cell defects.…”

Section: Introductionmentioning

confidence: 99%

Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics

2023

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The development of highly tough and ductile metal composites is of particular importance for structural applications, namely in transport industries. There has been ongoing research efforts to harness graphene's outstanding mechanical properties by using it as nanofiller in the mechanical reinforcement of metal nanocomposites, [1][2][3] thus overcoming the typical strength-ductility trade-off. However, graphene's 2D structure brings several processing limitations, such as its tendency to restack and aggregate due to strong van der Waals interactions between layers [4] or low bending rigidity that leads to surface wrinkling, thus delaying a good stress distribution of stresses. [5] One strategy to overcome these limitations is to assemble graphene in 3D networks. [6] Carbon honeycombs (CHC) are novel carbon allotropes that consist in 3D cellular arrangements of graphene nanoribbons connected by sp 3 -hybridized carbon-edge atoms. These graphene nanoribbons form the "walls" of periodic hexagonal cells in a 3D structure that resembles a honeycomb. CHCs were first theorized by Karfunkel and Dressler in 1992, [7] but only in 2016 were they experimentally synthetized by Krainyukova et al. [8] from the deposition of vacuum-sublimated graphite.CHC's unique properties, such as high sorption and storage capacities, [9][10][11][12] membrane sieving, [13] high thermal conductivity, [14][15][16][17] or superior mechanical energy absorbing capacity [18] ), have been predicted mostly by first principles and molecular dynamics (MD) methods. The latter methods were also used to explore in detail the mechanical properties of CHCs.Using first principles, Pang et al. [19] demonstrated that CHCs have high tensile strength depending on cell size and show a marked anisotropic Poisson's ratio effect. They also realized that the honeycomb's stability is related to the combination of sp 2 bonding of graphene nanoribbons with sp 3 carbon bonding in the nanoribbons' junctions.Zhang et al. [20] used density-functional theory (DFT) and MD to study in-plane compressive loading of CHC and found that its mechanical properties are mainly dependent on cell size and on the density of junctions between graphene nanoribbons. They also observed a self-localized deformation behavior in CHC under compression.Gu et al. [21] employed DFT calculations and MD to show that CHCs can have remarkable strength and ductility even for small densities (0.5 g cm À3 ). They calculated strengths as high as

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“…It is reported that graphene as a well-known example of 2DNMs shows an amazing Young's modulus of B1 TPa and tensile strength of B120 GPa. 4 Hereafter, huge efforts have been devoted to constructing macroscopic materials with excellent mechanical performances by the assembly of 2DNMs for various engineering applications, such as 2DNM-architected films, 5,6 papers, 7,8 fibers, 9,10 aerogels, 11,12 cellular materials, [13][14][15] etc. However, for these macroscopic 2DNM assemblies, one of the long-troubled problems is the trade-off between their strength and ductility.…”

Section: Introductionmentioning

confidence: 99%

Structure-dependent mechanical properties of self-folded two-dimensional nanomaterials

Wei

Guo

2022

Phys. Chem. Chem. Phys.

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Deformation and instability of three-dimensional graphene honeycombs under in-plane compression: Atomistic simulations

Cited by 10 publications

References 35 publications

Effective removal of Pb2+ from oral medical wastewater via an activated three-dimensional framework carbon (3D AFC)

Effective removal of Pb2+ from oral medical wastewater via an activated three-dimensional framework carbon (3D AFC)

Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics

Structure-dependent mechanical properties of self-folded two-dimensional nanomaterials

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