Synthesis of a monolayer fullerene network

Hou, Lingxiang; Cui, Xueping; Guan, Bo; Wang, Shaozhi; Li, Rui‐An; Liu, Yunqi; Zhu, Daoben; Zheng, Jian

doi:10.1038/s41586-022-04771-5

Cited by 194 publications

(211 citation statements)

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“…1 (a-b) The initial crystal structure of (a) qHP and (b) qTP C60 constructed by the lattice parameters from Ref. [17]. Here, a and b are primitive lattice constants along x and y axes of qHP C60, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…Each elastic constant component was determined by using the first-order derivative of the stress-strain curve that contains nine small strains ranging from 2% to 2% in the elastic regime. In all stress calculations of both tension simulations and elastic constants predictions, the thickness of monolayer qHP C60 was set as 8.78 Å, which equals to the layer separation in bulk qHP C60 [17]. In addition to statics simulations, AIMD simulations were also performed to verify the thermodynamic stability of monolayer qHP C60.…”

Section: Models and Computational Methodsmentioning

confidence: 99%

“…The carbon honeycomb or 3D graphene is reported to possess high porosity and accessibility, which is thus proven to have a high storage capacity for gas molecules [15]. Very recently, by merging cluster cages of C60 fullerenes through planar covalent carbon-carbon bonds, a new 2D carbon material, namely the monolayer quasi-hexagonal-phase fullerene (qHP C60) was fabricated in the laboratory successfully [17]. This 2D fullerene polymer is reported to have a moderate bandgap and unique topological structure, both of which make it appealing for applications in 2D electronic devices [17].…”

Section: Introductionmentioning

confidence: 99%

“…Very recently, by merging cluster cages of C60 fullerenes through planar covalent carbon-carbon bonds, a new 2D carbon material, namely the monolayer quasi-hexagonal-phase fullerene (qHP C60) was fabricated in the laboratory successfully [17]. This 2D fullerene polymer is reported to have a moderate bandgap and unique topological structure, both of which make it appealing for applications in 2D electronic devices [17]. Actually, the synthesis of 2D fullerene polymers can be dated back to 1995, when Iwasa et al [18] reported the rhombohedral phase of C60 by high pressure synthesis.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Anisotropic mechanical properties of monolayer fullerene network: An interplay between two types of interfullerene bonds

Ying

Zhong

Zhang

2022

Preprint

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As a newly synthesised two-dimensional (2D) carbon material, mechanical properties of the monolayer fullerene network or, namely, quasi-hexagonal-phase fullerene (qHP C60) [Hou et al., Nature, 606, 507-510 (2022)] are almost unexplored. In this work, first-principles calculations were conducted to reveal the elastic properties and fracture behaviours of monolayer qHP C60, both of which are strongly anisotropic. Specifically, the Young’s modulus (166 GPa) and the Poisson’s ratio (0.12) in the minimum direction of monolayer qHP C60 are both smaller than any other synthesized 2D carbon crystal materials. In addition, the qHP C60 monolayer stretched along the direction of the [2 + 2] cycloaddition bond is found to possess a larger tensile strength (fracture strain) and exhibit a more complicated crack pattern. The robustness of monolayer qHP C60 under mechanical loading and the sensitivity of its band gap to loading suggest that the strain engineering is an effective method to modulate the electronic properties of monolayer qHP C60, which is found to be especially more efficient when the loading is perpendicular to the [2 + 2] cycloaddition bond. These findings suggest that monolayer qHP C60 could be a potential candidate in developing flexible 2D electronic devices with strain-tunable performance.

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Section: Resultsmentioning

confidence: 99%

Section: Models and Computational Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Anisotropic mechanical properties of monolayer fullerene network: An interplay between two types of interfullerene bonds

Ying

Zhong

Zhang

2022

Preprint

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“…Graphene can also be synthesized from fullerene [ 60 , 61 , 62 ]. Furthermore, fullerene can be exfoliated to form an atomic-scale 2-D polymeric network [ 63 ]. Reports have also indicated that graphene and graphene nanoribbons can be prepared by unravelling CNTs [ 64 , 65 , 66 , 67 , 68 , 69 , 70 ].…”

Section: Introductionmentioning

confidence: 99%

The Transformation of 0-D Carbon Dots into 1-, 2- and 3-D Carbon Allotropes: A Minireview

2022

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Carbon dots (CDs) represent a relatively new type of carbon allotrope with a 0-D structure and with nanoparticle sizes < 10 nm. A large number of research articles have been published on the synthesis, characteristics, mechanisms and applications of this carbon allotrope. Many of these articles have also shown that CDs can be synthesized from “bottom-up” and “top-down” methods. The “top-down” methods are dominated by the breaking down of large carbon structures such as fullerene, graphene, carbon black and carbon nanotubes into the CDs. What is less known is that CDs also have the potential to be used as carbon substrates for the synthesis of larger carbon structures such as 1-D carbon nanotubes, 2-D or 3-D graphene-based nanosheets and 3-D porous carbon frameworks. Herein, we present a review of the synthesis strategies used to convert the 0-D carbons into these higher-dimensional carbons. The methods involve the use of catalysts or thermal procedures to generate the larger structures. The surface functional groups on the CDs, typically containing nitrogen and oxygen, appear to be important in the process of creating the larger carbon structures that typically are formed via the generation of covalent bonds. The CD building blocks can also ‘aggregate’ to form so called supra-CDs. The mechanism for the formation of the structures made from CDs, the physical properties of the CDs and their applications (for example in energy devices and as reagents for use in medicinal fields) will also be discussed. We hope that this review will serve to provide valuable insights into this area of CD research and a novel viewpoint on the exploration of CDs.

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Graphullerene: A Fully Atomistic Analysis of the Tensile Characteristics Under Temperature Variation

Ajori,

Eghbalian,

Sadeghi

2024

Adv Eng Mater

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Based on the molecular dynamics (MD) simulations, mechanical properties of the most recently synthesized covalent fullerene network, i.e., graphullerene sheet under uniaxial tension are determined. These properties include Young’s modulus, ultimate stress, failure strain, tensile toughness and Poisson’s ratio. Due to the lack of existing data on mechanical properties of graphullerene, a comprehensive study is performed to get an insight into the effects of defect density, size and temperature on all tensile characteristics. The results indicate that the tensile behavior of graphullerene structure is comparable with graphene allotropes. Moreover, it is observed that the presence of defect reduces stiffness, ultimate stress and tensile toughness, while it has a negligible effect on the failure strain. It is further observed that unlike stiffness, increasing the temperature reduces other tensile characteristics. Interestingly, it is found that graphullerene exhibits auxetic behavior with negative Poisson’s ratio which categorizes it as a unique auxetic material ever synthesized. At the end, three types of potential functions for hydrocarbons including AIREBO, REBO and Tersoff are considered to study the tensile behavior of graphullerene. This new auxetic nanosheet would be a promising analogous to existing 2D nanostructures with fascinating potential applications.This article is protected by copyright. All rights reserved.

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Synthesis of a monolayer fullerene network

Cited by 194 publications

References 30 publications

Anisotropic mechanical properties of monolayer fullerene network: An interplay between two types of interfullerene bonds

Anisotropic mechanical properties of monolayer fullerene network: An interplay between two types of interfullerene bonds

The Transformation of 0-D Carbon Dots into 1-, 2- and 3-D Carbon Allotropes: A Minireview

Graphullerene: A Fully Atomistic Analysis of the Tensile Characteristics Under Temperature Variation

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