Micromechanical Landscape of Three-Dimensional Disordered Graphene Networks

Zhu, YinBo; Wang, Yongchao; Wu, Bao; He, ZeZhou; Xia, Jun; Wu, HengAn

doi:10.1021/acs.nanolett.1c02985

Cited by 22 publications

(6 citation statements)

References 50 publications

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“…(Figure S3, Supporting Information). [20][21][22] For better understanding, typical structural features in H-TPGC have been marked and modelled in the HRTEM image as illustrated in Figure 1a: 1) Randomly interleaved structures are called topological structures (region I); the voids surrounded by multiple layers of long-range graphene nanoribbons wound around each other are called topological cavities/tunnels (region II); The starting point of the multidirectional connection of long-range graphene nanoribbons is referred to as a topological junction (region III), these three structural models could observe from different views of the multilayer Mobius torus structure which shown in Figure 1b. Moreover, the 3D model of H-TPGCs (Figure S4, Supporting Information) derived by the HRTEM also demonstrate above conclusion.…”

Section: Structure Of Topological Graphitized Carbonmentioning

confidence: 99%

Achieving All‐Plateau and High‐Capacity Sodium Insertion in Topological Graphitized Carbon

Lai

Liang

et al. 2023

Advanced Materials

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Hard carbon anodes with all‐plateau capacities below 0.1 V are prerequisites to achieve high energy density sodium ion storages, which are holding promises for the future sustainable energy technologies. However, challenges in removing defects and improving the insertion of sodium ions heading off the development of hard carbon to achieve this goal. Herein, we reported a highly cross‐linked topological graphitized carbon using biomass corn cobs through a two‐step rapid thermal annealing strategy. The topological graphitized carbon constructed with long‐range graphene nanoribbons and cavities/tunnels provides a multi‐directional insertions of sodium ions whilst eliminating defects to absorb sodium ions at high voltage region. Evidences from advanced technique including in‐situ XRD, in‐situ Raman and in‐situ/ex‐situ TEM indicate that the sodium ions appear Na cluster formation between curved topological graphite layers and in the topological cavity of adjacent graphite band entanglements. The reported topological insertion mechanism enables outstanding battery performance with a single full low‐voltage plateau capacity of 290 mAh g−1, which is almost 97% of the total capacity.This article is protected by copyright. All rights reserved

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Section: Structure Of Topological Graphitized Carbonmentioning

confidence: 99%

Achieving All‐Plateau and High‐Capacity Sodium Insertion in Topological Graphitized Carbon

Lai

Liang

et al. 2023

Advanced Materials

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“…Nevertheless, such a conceptual model is too rough to accurately reflect the structural complexity of hard carbon. To some extent, the framework of hard carbon can also be regarded as 3D disordered graphene networks, where some intrinsic topological features are often hidden in these formless fragments with a lack of clear understanding. − For the specific case of hard carbon anodes used in SIBs, one of the greatest challenges is the in-depth cognition of the Na-storage behaviors and their associated structural changes . Up to now, some powerful analytical techniques [such as X-ray diffraction (XRD), small-angle x-ray scattering (SAXS), and X-ray photoelectron spectroscopy (XPS)] have been extensively reported to characterize the morphology and structure of hard carbon. − However, one must acknowledge that the abovementioned characterization methods can obtain some structural parameters and carbon morphology, but cannot provide the large-scale atomistic representations and even the structure–property correlations of hard carbon.…”

Section: Introductionmentioning

confidence: 99%

Insight into Sodium Storage Behaviors in Hard Carbon by ReaxFF Molecular Dynamics Simulation

Chen

et al. 2022

Energy Fuels

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The uncertainty in the Na-storage behaviors has seriously prevented the optimization of hard carbon electrodes, while molecular simulations can provide some unique research perspectives. In this work, a large-scale molecular model with over 65,000 carbon atoms was constructed for commercial hard carbon by combining experimental characterization and theoretical modeling, which well reproduces some key structural features. Based on such an experimentally determined hard carbon model, reactive molecular dynamics simulations were performed to obtain more detailed insights into the nature of Na storage at the atomic scale. It is found that the computational findings are basically in agreement with the electrochemical results. The final structure–capacity–potential relationship not only verifies the controversial “card-house” theory but also unveils a new mechanism involving small sodium clusters on defective sites in the high-potential sloping region. On this basis, it yielded a clear picture of the Na-storage behaviors in hard carbon, which consists of sodium adsorption, intercalation, and pore filling. Besides, several design strategies were proposed to maximize the capacity of hard carbon. Such fundamental research based on ReaxFF simulation can open new studying routes for elucidation of the Na-storage mechanism and may pave the way for designing high-performance hard-carbon-based anodes.

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“…The ultimate strengths of cellular‐ and gradient‐inspired samples are around 1000 MPa with a relatively low density (

ρ =

0.1 g cm −3 ). Figure 10c shows the Ashby plot for specific strength versus failure strain for the proposed bioinspired carbon‐based metamaterials along with a variety of other materials, including commercially available bulk materials, graphene, carbon fibers, [ 70 ] micro‐sized pyrolytic carbon, [ 71,72 ] disordered carbon networks, [ 73 ] and polycrystalline diamond. [ 74 ] The specific strength of tubular‐, fibrous‐, layered‐, and suture‐inspired carbon‐based metamaterials outperform all other materials displayed in the chart, occupying a hitherto unexplored space in the Ashby diagram.…”

Section: Discussionmentioning

confidence: 99%

Lessons from Nature for Carbon‐Based Nanoarchitected Metamaterials

Cai

Chen

et al. 2022

Small Science

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Graphene, the classic one-atom-thick two-dimensional (2D) material with hexagonal lattice of sp 2 -bonded carbon atoms (a carbon atom bound to three atoms is sp 2 hybridized. When carbon is bonded to four other atoms, the hybridization is sp 3 ), was first theoretically discovered by Wallace [1] in 1947 and then was experimentally realized around 1970s. [2,3] Another form of carbon atoms, known as onedimensional (1D) carbon nanotube (CNT), was uncovered later in 1991 [4] and reported to be made out of a single graphene layer later in 1993. [5,6] Since being discovered, these carbon-based materials have attracted intensive research interest due to their outstanding thermo-electromechanical properties. [7][8][9][10][11] For instance, the monolayer graphene exhibits a unique combination of ultrahigh mechanical properties (Young's modulus of %1 TPa and tensile strength of %130 GPa [10] ), high thermal conductivity (3000-5000 W m À1 K À1 for suspended monolayer graphene), [8,12] and high electrical conductivity (10 4 to 10 5 S m À1 ). [13,14] The unique properties of graphene and CNT make them exciting candidates in flexible electronic devices, [15,16] nanosensors, [17] complementary metal-oxidesemiconductor, [11] and nanoelectromechanical systems (NEMS). [18] Nevertheless, some of CNT's and graphene's intrinsic properties, such as the limited stretchability (%0.2) [19,20] and low dimensional (1D and 2D) features, [21] can hamper their applications.By introducing rationally designed underlying architectures as the constitutive unit cell, architected materials, so-called metamaterials, with unparalleled multiphysical properties can be developed at multiple scales, from nano to macro. [22][23][24][25][26][27][28][29] For example, 3D nanoarchitected pyrolytic carbon exhibits extreme energy dissipation, which is %70% superior to that of Kevlar composites and nanoscale polystyrene films, owing to its material architecture and nanoscale material size effects. [23] Recent advances in additive manufacturing (AM) have emerged as a frontrunner for the fabrication of architected metamaterials to construct arbitrary complex architectures in a wide range of length scales. For instance, the feature resolutions of the architectures can be below 100 nm by utilizing photolithography. [30] Hence, to fully leverage these new manufacturing techniques, it is essential to design and computationally optimize materials architectures at different length scales, especially nano-and atomic scales, to achieve desired properties. Two main strategies to date have been utilized to construct nanoarchitected metamaterials based on graphene sheets and CNTs by computational simulations.

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Micromechanical Landscape of Three-Dimensional Disordered Graphene Networks

Cited by 22 publications

References 50 publications

Achieving All‐Plateau and High‐Capacity Sodium Insertion in Topological Graphitized Carbon

Achieving All‐Plateau and High‐Capacity Sodium Insertion in Topological Graphitized Carbon

Insight into Sodium Storage Behaviors in Hard Carbon by ReaxFF Molecular Dynamics Simulation

Lessons from Nature for Carbon‐Based Nanoarchitected Metamaterials

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