☆ 4.7 Article

Enhancing the Mechanical Stability of 2D Fullerene with a Graphene Substrate and Encapsulation

NANOMATERIALS (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Multidisciplinary

Stability and Strength of Monolayer Polymeric C60

Bo Peng

Summary: Using first-principles calculations, it is found that the stability of quasi-tetragonal two-dimensional fullerene networks is not as expected, while the quasi-hexagonal phase exhibits relatively high stability. The high stability of the quasi-hexagonal phase is attributed to the strong covalent C-C bonds that tightly hold the linked C60 clusters together, allowing for a closely packed hexagonal network.

NANO LETTERS (2023)

添加到收藏夹

Article Crystallography

Stability and Elasticity of Quasi-Hexagonal Fullerene Monolayer from First-Principles Study

Guichang Shen et al.

Summary: As a newly synthesized two-dimensional carbon material, the stability of qhp-C-60 was investigated using first-principles calculations. The results show that qhp-C-60 is energetically, mechanically, and thermodynamically stable, with similar ductility to graphite and graphene. The material also exhibits thermal stability, as confirmed by electronic characteristics. These findings contribute to the material design of qhp-C-60-related applications.

CRYSTALS (2023)

添加到收藏夹

Article Engineering, Mechanical

Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations

Penghua Ying et al.

Summary: We comprehensively investigated the mechanical properties of monolayer quasi-hexagonal-phase fullerene (qHPF) membrane using quantum mechanical density-functional-theory (DFT) calculations and molecular dynamics simulations. The anisotropic elastic properties and fracture behaviors of qHPF arise from the differences between inter-fullerene C-C single bonds and [2 + 2] cycloaddition bonds. The tensile strength and fracture strain of monolayer qHPF are much smaller than other two-dimensional carbon crystals, mainly due to the inhomogeneous deformation caused by stiffness differences between inter-fullerene and intra-fullerene bonds. Our study highlights the effectiveness and accuracy of the machine-learned neuroevolution potential (NEP) approach in determining the mechanical properties of 2D materials.

EXTREME MECHANICS LETTERS (2023)

添加到收藏夹

Article Thermodynamics

Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene

Haikuan Dong et al.

Summary: Recently, a novel two-dimensional (2D) C60 based crystal called quasi-hexagonal-phase fullerene (QHPF) has been fabricated and shown potential for 2D electronic devices. Researchers developed an accurate machine-learned potential to study heat transport and related properties of QHPF, comparing it with the face-centered-cubic bulk-phase fullerene (BPF). The study revealed that the thermal conductivity of QHPF is anisotropic, with values of 137(7) W/mK parallel to the cycloaddition bonds and 102(3) W/mK perpendicular to the in-plane direction. In contrast, the thermal conductivity of BPF is isotropic and only 0.45(5) W/mK. The study highlights the importance of inter-molecular covalent bonding in enhancing the thermal conductivity of QHPF, which has implications for its application in 2D electronic devices.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2023)

添加到收藏夹

Article Physics, Multidisciplinary

Highly in-plane anisotropic optical properties of fullerene monolayers

Danwen Yuan et al.

Summary: This study investigates the electronic structure and optical properties of quasi-hexagonal phase (qHP) and quasi-tetragonal phase (qTP) monolayer fullerenes. It is found that qHP is a semiconductor whereas qTP is a semimetal with highly in-plane anisotropic absorption. The anisotropy of qTP suggests its potential as a long-pursuit lossless metal and atomically thin polarizer.

SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY (2023)

添加到收藏夹

Review Chemistry, Physical

A Review of the Mechanical Properties of Graphene Aerogel Materials: Experimental Measurements and Computer Simulations

Penghao Qi et al.

Summary: Graphene aerogels (GAs) exhibit ultralight, ultra-strength, and ultra-tough properties by combining the unique properties of two-dimensional graphene with the structural characteristics of microscale porous materials. They are promising carbon-based metamaterials for harsh environments in aerospace, military, and energy-related fields. However, there are still challenges in their application, requiring a deep understanding of their mechanical properties and enhancement mechanisms.

MATERIALS (2023)

添加到收藏夹

Article Crystallography

Effects of Crack Formation on the Mechanical Properties of Bilayer Graphene: A Comparative Analysis

Taotao Yu et al.

Summary: We conducted a molecular dynamics simulation to study the influence of crack formation on the mechanical properties of bilayer graphene. Our results demonstrate that the mechanical properties of bilayer graphene, such as Young's modulus and fracture toughness, are affected by various crack configurations, sizes, and orientations. The presence of cracks leads to a decrease in Young's modulus and fracture toughness, with circular and hexagonal cracks exhibiting lower values compared to rectangular cracks. The orientation of the crack also plays a significant role in determining the mechanical properties. Furthermore, we observed a decrease in Young's modulus with increasing temperature in bilayer graphene with cracks on both layers.

CRYSTALS (2023)

添加到收藏夹

Article Chemistry, Physical

Anisotropic mechanical response of a 2D covalently bound fullerene lattice

Shuai Zhao et al.

Summary: In this study, the anisotropic mechanical properties of stable monolayer C60 fullerene (mC60) lattice were investigated using density functional theory (DFT) and theoretical analysis. The results showed that the tensile properties of mC60 were orientation-dependent, and the band gap of mC60 could be tuned through strain engineering. These findings are significant for exploring the functioning and application of mC60 and mechanical analysis of other monolayer lattices.

CARBON (2023)

添加到收藏夹

Article Thermodynamics

On/off switchable interfacial thermal resistance in graphene/fullerene/graphene heterostructures

Yixuan Xue et al.

Summary: In this study, we demonstrate that the interfacial thermal resistance in graphene/fullerene/graphene sandwiches can be switchable and show a step-like change by varying the number of fullerenes. This switchable phenomenon is achieved by a structural transition between the graphene layers. The study also shows that mechanical strain or temperature variation can achieve the same switchable effect. This work highlights the potential application of sandwich-like nanoscale heterostructures in switchable thermal devices.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2023)

添加到收藏夹

Article Chemistry, Multidisciplinary

Phonon Thermal Transport in Silicene/Graphene Heterobilayer Nanostructures: Effect of Interlayer Interactions

Jiasheng Zhou et al.

Summary: In this paper, molecular dynamics simulations were used to investigate the phonon thermal transport in silicene/graphene heterostructures. The results showed that graphene dominates the thermal transport in the heterostructures, and heterostructuring can reduce the thermal conductivity of the graphene layer while increasing the thermal conductivity of the silicene layer. The interlayer interaction strength also affects the thermal conductivity and interfacial thermal resistance in the heterostructures.

ACS OMEGA (2022)

添加到收藏夹

Article Chemistry, Physical

Anisotropic Optical, Mechanical, and Thermoelectric Properties of Two-Dimensional Fullerene Networks

Linfeng Yu et al.

Summary: This study comprehensively investigates the properties of a novel fullerene monolayer using advanced computational methods, revealing its close-to-experimental band gap, optical absorption performance, and potential applications in various fields.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

添加到收藏夹

Article Multidisciplinary Sciences

Synthesis of a monolayer fullerene network

Lingxiang Hou et al.

Summary: In this study, a single-crystal 2D carbon material, monolayer quasi-hexagonal-phase fullerene (C-60), is prepared using an interlayer bonding cleavage strategy. This material exhibits high crystallinity, good thermodynamic stability, and has a moderate bandgap. The asymmetric lattice structure of monolayer polymeric C-60 gives it notable in-plane anisotropic properties. This 2D carbon material offers an interesting platform for potential applications in 2D electronic devices.

NATURE (2022)

添加到收藏夹

Article Chemistry, Physical

A DFT study of the electronic, optical, and mechanical properties of a fullerene network

Raphael M. Tromer et al.

Summary: This study investigates the optoelectronic and mechanical properties of qHPC(60) monolayers, finding that it has a moderate bandgap and anisotropic mechanical properties, making it suitable as a UV collector.

CHEMICAL PHYSICS LETTERS (2022)

添加到收藏夹

Article Physics, Atomic, Molecular & Chemical

Thermal stability and fracture patterns of a recently synthesized monolayer fullerene network: A reactive molecular dynamics study

L.A. Ribeiro et al.

CHEMICAL PHYSICS LETTERS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting

Bo Peng

Summary: Photocatalytic water splitting is an environmentally friendly method to produce hydrogen and reduce global carbon emissions. Monolayer fullerene networks, synthesized recently, offer new material candidates for photocatalysis due to their large surface area, abundant active sites, and potential for hydrogen storage. The electronic structures of monolayer fullerene networks were investigated using density functional theory and hybrid functional calculations. It was found that these networks have suitable band gaps, appropriate band edges, and sufficient driving force for water splitting. Additionally, different phases of fullerene networks exhibit unique optical properties, making them advantageous in photocatalysis as either electron acceptors or donors.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)

添加到收藏夹

Article Crystallography

Atomic Insights into Fracture Characteristics of Twisted Tri-Layer Graphene

Hassan Shoaib et al.

Summary: Graphene twistronics have attracted attention for their superconductive behavior, but the mechanical properties of twisted trilayer graphene (tTLG) under loading remain challenging. Research findings show that tTLG does not exhibit the same excellent mechanical properties as graphene, but certain aspects are comparable.

CRYSTALS (2021)

添加到收藏夹

Article Multidisciplinary Sciences

Elastic straining of free-standing monolayer graphene

Ke Cao et al.

NATURE COMMUNICATIONS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Me-graphene: a graphene allotrope with near zero Poisson's ratio, sizeable band gap, and high carrier mobility

Zhiwen Zhuo et al.

NANOSCALE (2020)

添加到收藏夹

Article Physics, Multidisciplinary

Simulation of the Formation and Mechanical Properties of Layered Structures with Polymerized Fullerene-Graphene Components

A. A. Artyukh et al.

JETP LETTERS (2020)

添加到收藏夹

Review Physics, Multidisciplinary

The art of designing carbon allotropes

Run-Sen Zhang et al.

FRONTIERS OF PHYSICS (2019)

添加到收藏夹

Article Chemistry, Physical

Magic auxeticity angle of graphene

Jie Hou et al.

CARBON (2019)

添加到收藏夹

Review Physics, Multidisciplinary

Recent progress on high-pressure and high-temperature studies of fullerenes and related materials

Cuiying Pei et al.

MATTER AND RADIATION AT EXTREMES (2019)

添加到收藏夹

Article Chemistry, Physical

Atomistic insights into the effect of polymerization on the thermophysical properties of 2-D C60 molecular solids

Abduljabar Qassem Alsayoud et al.

CARBON (2018)

添加到收藏夹

Review Thermodynamics

Recent advances in the synthesis and modification of carbon-based 2D materials for application in energy conversion and storage

Rajesh Kumar et al.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2018)

添加到收藏夹

Article Chemistry, Physical

Popgraphene: a new 2D planar carbon allotrope composed of 5-8-5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming

Shuaiwei Wang et al.

JOURNAL OF MATERIALS CHEMISTRY A (2018)

添加到收藏夹

Article Materials Science, Multidisciplinary

Ab initio study of the stability of intrinsic and extrinsic Ag point defects in 3C-SiC

Nanjun Chen et al.

JOURNAL OF NUCLEAR MATERIALS (2018)

添加到收藏夹

Article Chemistry, Analytical

A Molecular Dynamics Study of the Mechanical Properties of Twisted Bilayer Graphene

Aaron Liu et al.

MICROMACHINES (2018)

添加到收藏夹

Article Instruments & Instrumentation

A ReaXFF carbon potential for radiation damage studies

Roger Smith et al.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS (2017)

添加到收藏夹

Article Multidisciplinary Sciences

Buckyball sandwiches

Rasim Mirzayev et al.

SCIENCE ADVANCES (2017)

添加到收藏夹

Article Materials Science, Multidisciplinary

The normal-auxeticity mechanical phase transition in graphene

Binghui Deng et al.

2D MATERIALS (2017)

添加到收藏夹

Article Chemistry, Physical

Electronic and optical properties of novel carbon allotropes

Zhanyu Wang et al.

CARBON (2016)

添加到收藏夹

Review Materials Science, Multidisciplinary

Magical Allotropes of Carbon: Prospects and Applications

Santosh K. Tiwari et al.

CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES (2016)

添加到收藏夹

Review Chemistry, Physical

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle et al.

NPJ COMPUTATIONAL MATERIALS (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones

Zhenhai Wang et al.

NANO LETTERS (2015)

添加到收藏夹

Article Physics, Multidisciplinary

Interaction-Driven Metal-Insulator Transition in Strained Graphene

Ho-Kin Tang et al.

PHYSICAL REVIEW LETTERS (2015)

添加到收藏夹

Article Multidisciplinary Sciences

Two-dimensional van der Waals C60 molecular crystal

C. D. Reddy et al.

SCIENTIFIC REPORTS (2015)

添加到收藏夹

Article Chemistry, Physical

DFT characterization of a new possible graphene allotrope

Nataliya N. Karaush et al.

CHEMICAL PHYSICS LETTERS (2014)

添加到收藏夹

Article Physics, Applied

MAGNETIC IMPURITY IN THE VICINITY OF A VACANCY IN BILAYER GRAPHENE

J. H. Sun et al.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B (2013)

添加到收藏夹

Article Chemistry, Physical

A theoretical analysis of the effect of the hydrogenation of graphene to graphane on its mechanical properties

Qing Peng et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)

添加到收藏夹

Article Chemistry, Physical

Mechanical properties of graphyne monolayers: a first-principles study

Qing Peng et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

添加到收藏夹

Article Physics, Condensed Matter

Graphene allotropes

Andrey N. Enyashin et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2011)

添加到收藏夹

Article Nanoscience & Nanotechnology

Nanocomposite Materials of Alternately Stacked C-60 Monolayer and Graphene

Makoto Ishikawa et al.

JOURNAL OF NANOMATERIALS (2010)

添加到收藏夹

Article Chemistry, Physical

Compressive Strength of Diamond From First-Principles Calculation

Xiaoguang Luo et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

添加到收藏夹

Article Materials Science, Multidisciplinary

Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool

Alexander Stukowski

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2010)

添加到收藏夹

Article Physics, Condensed Matter

Theory of the elastic constants of graphite and graphene

K. H. Michel et al.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2008)

添加到收藏夹

Article Materials Science, Multidisciplinary

Ab initio calculation of ideal strength and phonon instability of graphene under tension

Fang Liu et al.

PHYSICAL REVIEW B (2007)

添加到收藏夹

Article Mechanics

Tensile failure prediction of single wall carbon nanotube

M. Meo et al.

ENGINEERING FRACTURE MECHANICS (2006)

添加到收藏夹

Article Chemistry, Physical

Polymerization of C60 fullerene thin films by UV pulsed laser irradiation

E Alvarez-Zauco et al.

APPLIED SURFACE SCIENCE (2005)

添加到收藏夹

Article Materials Science, Multidisciplinary

Rigid crystalline phases of polymerized fullerenes -: art. no. 085417

S Berber et al.

PHYSICAL REVIEW B (2004)

添加到收藏夹

Article Multidisciplinary Sciences

Electric field effect in atomically thin carbon films

KS Novoselov et al.

SCIENCE (2004)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.