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Crystals
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Graphene Mechanics Volume III
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Graphene Mechanics Volume III

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: closed (28 February 2023) | Viewed by 10419

Special Issue Editor

Dr. Qing Peng

grade E-Mail Website
Guest Editor
Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China
Interests: multiscale modeling; nanomechanics; damage mechanics; nonlinear mechanics; physical mechanics; AI-mechanics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

As a monatomic layer of carbon atoms in a honeycomb lattice, graphene possesses extraordinary mechanical properties in addition to other amazing properties. The mechanical properties are of extreme importance for several potential applications, including the tailoring of other properties using strain engineering. In this Special Issue, we will focus on cutting-edge studies of graphene mechanics from both theoretical and experimental investigations. In particular, this collection covers current areas of research that are concerned with the effect of production methods and/or the presence of defects upon the mechanical integrity of graphene, work related to the effect of graphene deformation upon its electronic properties and the possibility of employing strained graphene in future electronic applications, as well as reviews of experimental and theoretical results, to date, on mechanical loading of freely suspended or fully supported graphene.

This Special Issue on graphene mechanics aims to provide a unique and international forum covering a broad range of findings involving mechanical properties, mechanical loading, and engineering and applications. Scientists working from various disciplines are invited to contribute to this cause.

The topics summarized in the keywords broadly cover examples of the great number of subtopics in mind. The volume is especially open to any innovative contributions involving mechanics aspects of the topics and/or subtopics.

Dr. Qing Peng
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • graphene
  • mechanical properties
  • theoretical and experimental

Related Special Issues

Published Papers (6 papers)

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Research

10 pages, 2858 KiB  
Article
Sodium Intercalation in Nitrogen-Doped Graphene-Based Anode: A First-Principles Study
by Henry Ding and Xu Zhang
Crystals 2023, 13(7), 1011; https://doi.org/10.3390/cryst13071011 - 25 Jun 2023
Cited by 3 | Viewed by 864
Abstract
Density functional theory (DFT) and Monte Carlo (MC) simulations were performed to study the adsorption and distribution of Na ions on nitrogen-doped graphenes (NGs). DFT simulations revealed that both pyridinic and pyrrolic NGs enhanced Na adsorption even at higher Na concentrations by introducing [...] Read more.
Density functional theory (DFT) and Monte Carlo (MC) simulations were performed to study the adsorption and distribution of Na ions on nitrogen-doped graphenes (NGs). DFT simulations revealed that both pyridinic and pyrrolic NGs enhanced Na adsorption even at higher Na concentrations by introducing electron-deficient vacancies. While Na ions tend to cluster on a pristine graphene, they separate when absorbed on pyridinic NGs due to stronger Na adsorption and Na-Na repulsion. Based on DFT energies, MC simulations were performed to study the distribution of Na on a pyridinic NG as a function of the pyridinic defect concentration and Na concentration. The average size of Na clusters decreases with increasing pyridinic defect concentration. The theoretical specific capacity increases monotonically as the pyridinic defect concentration is increased and reaches a maximum value at a concentration of ~7.5%. This theoretical study suggests that the pyridinic NGs hold promise as anode materials for sodium-ion batteries capable of enhancing Na adsorption, preventing Na clustering, and increasing the anode’s specific capacity. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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14 pages, 10651 KiB  
Article
Investigation on Micro-Hardness, Surface Roughness and SEM of Nano TiO2/B4C/Graphene Reinforced AA 7075 Composites Fabricated by Frictional Stir Processing
by Majed Mohammed Hotami and Shengyuan Yang
Crystals 2023, 13(3), 522; https://doi.org/10.3390/cryst13030522 - 18 Mar 2023
Cited by 2 | Viewed by 1199
Abstract
The current work seeks to discover and choose the proper friction stir processing (FSP) settings for aluminum alloy 7075 surface composites enhanced by adding three unique nanoparticles of titanium dioxide (TiO2), B4C, and graphene for superior performance. FSP is [...] Read more.
The current work seeks to discover and choose the proper friction stir processing (FSP) settings for aluminum alloy 7075 surface composites enhanced by adding three unique nanoparticles of titanium dioxide (TiO2), B4C, and graphene for superior performance. FSP is the only method that produces higher amounts of particle distribution and nanoscale reinforcing. For the sample fabrication, a special relatively high rotational speed of 2000 rpm and feed rate of 45 mm/min were tested with a suitable range of processing parameters (800–2000 rpm, 25–45 mm/min). To measure the micro-hardness and surface roughness of three different surface nano composites, they were studied under various FSP conditions. The findings showed that surface composites produced at high rotational speeds of 1400 rpm and 45 mm/min decreased surface roughness and granule distributions by 39% and 73%, respectively, and increased surface micro-hardness by 54%. According to the microstructure investigations, good bonding was produced between the AA7075 substrate generated at 1200 rpm and the base metal and friction stir processed specimens at 800 and 2000 rpm. The AA7075/B4C surface composite produced at 1200 rpm rotating speed had a higher micro-hardness than the other two surface composites. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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13 pages, 2835 KiB  
Article
Mechanical Property and Corrosion Behavior of Powder-Metallurgy-Processed 3D Graphene-Networks-Reinforced Al Matrix Composites
by Meng Zeng, Hongmei Chen, Xiaoma Tao and Yifang Ouyang
Crystals 2023, 13(3), 485; https://doi.org/10.3390/cryst13030485 - 11 Mar 2023
Cited by 2 | Viewed by 1201
Abstract
Three-dimensional graphene networks (3DGN) have the potential to be used as a reinforcement for aluminum matrix composites due to their unique wrinkled structure and cost-effectiveness. In this work, the mechanical properties and corrosion resistance of 3DGN in Al matrix were systematically investigated. 3DGN/Al [...] Read more.
Three-dimensional graphene networks (3DGN) have the potential to be used as a reinforcement for aluminum matrix composites due to their unique wrinkled structure and cost-effectiveness. In this work, the mechanical properties and corrosion resistance of 3DGN in Al matrix were systematically investigated. 3DGN/Al composites with weight ratios of 0, 0.075, 0.150, 0.225, and 0.300 3DGN were prepared by powder metallurgy following by ball mill and spark plasma sintering. Results revealed that the densification of 3DGN/Al composites slightly decreases with the increase of 3DGN content. Increased hardness without loss of ductility was recorded compared to the pure aluminum sample prepared under the same experimental conditions. 3DGN/Al composites exhibit higher corrosion currents density than that of pure aluminum, which shows that the addition of 3DGN reinforcement aggravates the corrosion of aluminum. This study can be used as a reference for future research on the effect of graphene on the various properties of graphene-reinforced aluminum matrix composites. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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10 pages, 3335 KiB  
Article
Two-Dimensional Carbon Networks with a Negative Poisson’s Ratio
by Hao Yuan, Guan Huang, Guangzhao Qin, Lichuan Zhang, Yuee Xie and Yuanping Chen
Crystals 2023, 13(3), 442; https://doi.org/10.3390/cryst13030442 - 03 Mar 2023
Cited by 2 | Viewed by 1423
Abstract
Low-dimensional materials with a negative Poisson’s ratio (NPR) have attracted lots of attention for their potential applications in aerospace, defense, etc. Although graphene and monolayer h-BN have been reported to have NPR behavior under external strains, the mechanism is not clear, and the [...] Read more.
Low-dimensional materials with a negative Poisson’s ratio (NPR) have attracted lots of attention for their potential applications in aerospace, defense, etc. Although graphene and monolayer h-BN have been reported to have NPR behavior under external strains, the mechanism is not clear, and the critical strains of the occurrence of a NPR are relatively larger. Here, we propose that the origination of the NPR phenomena in the 2D honeycomb structures can be explained by the variation of the zigzag chains under strains. Our calculations clarify that a NPR occurs along the armchair-chain direction rather than the zigzag-chain direction in these materials. Furthermore, a series of two-dimensional carbon networks including zigzag chains have demonstrated that there is NPR phenomena in them. In some of the networks, a NPR can be found under a small external strain. Our study not only deepens the understanding of the origin of NPR in honeycomb systems but also offers guidance to design auxetic nanostructures. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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13 pages, 3457 KiB  
Article
Stability and Elasticity of Quasi-Hexagonal Fullerene Monolayer from First-Principles Study
by Guichang Shen, Linxian Li, Shuai Tang, Jianfeng Jin, Xiao-Jia Chen and Qing Peng
Crystals 2023, 13(2), 224; https://doi.org/10.3390/cryst13020224 - 26 Jan 2023
Cited by 6 | Viewed by 2035
Abstract
As a newly synthesized two-dimensional carbon material, the stability study of monolayer fullerene networks or quasi-hexagonal phase fullerenes (qhp-C60) is timely desirable. We have investigated the stabilities of qhp-C60, including thermal, structural, mechanical, and thermodynamic stabilities, as well as [...] Read more.
As a newly synthesized two-dimensional carbon material, the stability study of monolayer fullerene networks or quasi-hexagonal phase fullerenes (qhp-C60) is timely desirable. We have investigated the stabilities of qhp-C60, including thermal, structural, mechanical, and thermodynamic stabilities, as well as the bonding characteristics, ductility, and mechanical properties, via first-principles calculations. The results show that qhp-C60 is energetically, mechanically, and thermodynamically stable. The thermodynamic stability of qhp-C60 at 300 K and 600 K is verified. The bonding characteristics of qhp-C60 are analyzed from the bond length, and it has sp2 and sp3 hybridization. The Pugh ratio (B/G) and Poisson’s ratio (v) indicate similar ductility with graphite and graphene. We also found that qhp-C60 has the lowest hardness and the anisotropy of the material. In addition, the electronic characteristics, including electron localization function (ELF), crystal orbital Hamiltonian population (COHP), and density of states (DOS) at different temperatures, are analyzed to verify the thermal stability of the material. Our results might be helpful in the material design of qhp-C60-related applications. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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12 pages, 4578 KiB  
Article
Electrical and Optical Characterization of Graphene Oxide and Reduced Graphene Oxide Thin Films
by Grazia Giuseppina Politano and Carlo Versace
Crystals 2022, 12(9), 1312; https://doi.org/10.3390/cryst12091312 - 17 Sep 2022
Cited by 8 | Viewed by 2528
Abstract
Despite a growing interest in graphene, an aspect which is less studied is the electrical and optical characterization of graphene oxide (GO)-based transparent conductors obtained using thermal annealing. In addition, few research works have studied the electrical properties of GO and reduced graphene [...] Read more.
Despite a growing interest in graphene, an aspect which is less studied is the electrical and optical characterization of graphene oxide (GO)-based transparent conductors obtained using thermal annealing. In addition, few research works have studied the electrical properties of GO and reduced graphene oxide (RGO) films using electrical impedance measurements. In this study, electric impedance measurements are performed on GO and thermally reduced GO films dip-coated on glass substrates. The electric resistance of RGO films decreases by about two orders of magnitude compared to GO films. Moreover, optical microscopy and variable angle spectroscopic ellipsometry (VASE) were carried out on the same samples. Thermal annealing increases the optical conductivity and the absorption coefficient of GO films. Such findings could be used in many optoelectronic applications, improving future GO applicability. Full article
(This article belongs to the Special Issue Graphene Mechanics Volume III)
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