scholarly journals Mechanical properties of graphene oxide: The impact of functional groups

2020 ◽  
Vol 525 ◽  
pp. 146554 ◽  
Author(s):  
Mahdi Tavakol ◽  
Abbas Montazeri ◽  
S. Hamed Aboutalebi ◽  
Reza Asgari
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Functional Groups ◽  
The Impact

scholarly journals Mechanical Properties of Graphene Oxide Coupled by Multi-Physical Field: Grain Boundaries and Functional Groups

Crystals ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 62
Author(s):  
Xu Xu ◽  
Zeping Zhang ◽  
Wenjuan Yao
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Grain Boundaries ◽  
Functional Groups ◽  
Oxygen Content ◽  
Tensile Fracture ◽  
Hydroxyl Groups ◽  
Molecular Configuration ◽  
Spatial Design ◽  
Out Of Plane

Graphene and graphene oxide (GO) usually have grain boundaries (GBs) in the process of synthesis and preparation. Here, we “attach” GBs into GO, a new molecular configuration i.e., polycrystalline graphene oxide (PGO) is proposed. This paper aims to provide an insight into the stability and mechanical properties of PGO by using the molecular dynamics method. For this purpose, the “bottom-up” multi-structure-spatial design performance of PGO and the physical mechanism associated with the spatial structure in mixed dimensions (combination of sp2 and sp3) were studied. Also, the effect of defect coupling (GBs and functional groups) on the mechanical properties was revealed. Our results demonstrate that the existence of the GBs reduces the mechanical properties of PGO and show an “induction” role during the tensile fracture process. The presence of functional groups converts in-plane sp2 carbon atoms into out-of-plane sp3 hybrid carbons, causing uneven stress distribution. Moreover, the mechanical characteristics of PGO are very sensitive to the oxygen content of functional groups, which decrease with the increase of oxygen content. The weakening degree of epoxy groups is slightly greater than that of hydroxyl groups. Finally, we find that the mechanical properties of PGO will fall to the lowest values due to the defect coupling amplification mechanism when the functional groups are distributed at GBs.

COMPUTATIONAL MODELING OF EPOXY-BASED HYBRID COMPOSITES REINFORCED WITH CARBON FIBERS AND FUNCTIONALIZED GRAPHENE NANOPLATELETS

2021 ◽  
Author(s):  
HASHIM AL MAHMUD ◽  
, MATTHEW RADUE ◽  
WILLIAM PISANI ◽  
GREGORY ODEGARD
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Hybrid Composites ◽  
Graphene Nanoplatelets ◽  
Pristine Graphene ◽  
Functionalized Graphene ◽  
Functionalized Graphene Oxide ◽  
Aspect Ratios ◽  
The Impact ◽  
Nanoscale Level

The impact on the mechanical properties of unidirectional carbon fiber (CF)/epoxy composites reinforced with pristine graphene nanoplatelets (GNP), highly concentrated graphene oxide (GO), and Functionalized Graphene Oxide (FGO) are investigated in this study. The localized reinforcing effect of each of the graphene nanoplatelet types on the epoxy matrix is predicted at the nanoscale-level by molecular dynamics. The bulk-level mechanical properties of unidirectional CF/epoxy hybrid composites are predicted using micromechanics techniques considering the reinforcing function, content, and aspect ratios for each of the graphene nanoplatelets. In addition, the effect of nanoplatelets dispersion level is also investigated for the pristine graphene nanoplatelets considering a lower dispersion level with four layers of graphene nanoplatelets (4GNP). The results indicate that the shear and transverse properties are significantly affected by the nanoplatelet type, loading and aspect ratio. The results of this study can be used in the design of hybrid composites to tailor specific laminate properties by adjusting nanoplatelet parameters.

scholarly journals Manufacturing and Evaluation of Mechanical, Morphological, and Thermal Properties of Reduced Graphene Oxide-Reinforced Expanded Polystyrene (EPS) Nanocomposites

2020 ◽  
Vol 2020 ◽  
pp. 1-9 ◽  
Author(s):  
Tomasz Rydzkowski ◽  
Kazimierz Reszka ◽  
Mieczysław Szczypiński ◽  
Michał Marek Szczypiński ◽  
Elżbieta Kopczyńska ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Reduced Graphene Oxide ◽  
Carbon Nanoparticles ◽  
Bending Strength ◽  
Expanded Polystyrene ◽  
Thermal Conductivity Ratio ◽  
Reduced Graphene ◽  
Similar Density ◽  
The Impact

The aim of the present study is to examine the effect of the addition of carbon nanoparticles (σsp2 hybridization) on the mechanical properties of foamed polystyrene. In this work, we focus on the study of the impact of compressive stress, tensile strength, bending strength, thermal conductivity ratio (λ), and water absorption of expanded polystyrene (EPS) reinforced with reduced graphene oxide and graphite. The results were compared with pristine EPS and reduced graphene oxide-reinforced EPS. All the nanocomposite specimens used for testing had a similar density. The study reveals that the nanocomposites exhibit different thermal conductivities and mechanical properties in comparison to pristine EPS. The enhancement in the properties of the nanocomposite could be associated with a more extensive structure of elementary cells of expanded polystyrene granules.

scholarly journals Research on innovative foils for agricultural applications

2019 ◽  
Author(s):  
Marek Jałbrzykowski ◽  
Sławomir Obidziński ◽  
Wioletta Świder ◽  
Magdalena Dołżyńska
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Tensile Test ◽  
Bacterial Resistance ◽  
Extrusion Process ◽  
Industrial Applications ◽  
Reduced Graphene ◽  
Agricultural Applications ◽  
Static Tensile ◽  
The Impact

The paper presents the research results of the impact of reduced graphene oxide (RGO) on selected mechanical and functional properties of LDPE foil. The foils were made by blow extrusion, with different amounts of RGO added to the granulate prior the extrusion process. Prepared foil samples were assessed for mechanical properties in a static tensile test and the assessment of their bacterial resistance was tested. The impact of RGO on antibacterial interactions and favorable mechanical properties of the foils were found. Analysis of the results allowed to select the most advantageous solution which was prepared for industrial applications.

Graphene/Sulfur and Graphene Oxide/Sulfur Composite Cathodes for High Performance Li-S Batteries: A Molecular Dynamics Study

2016 ◽  
Author(s):  
Aniruddha Dive ◽  
Ramiro Gonzalez ◽  
Soumik Banerjee
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Functional Groups ◽  
High Performance ◽  
Active Material ◽  
Valuable Insight ◽  
Density Distributions ◽  
Composite Cathodes ◽  
Dynamics Simulations ◽  
The Impact

Lithium – sulfur (Li-S) battery, with theoretical capacity (∼1675 mAh/g) and energy density comparable to that of gasoline, is a promising technology meeting the demands of next-generation electric vehicles. However, the Li-S battery hasn’t been able to reach the theoretically predicted capacity due to several limitations, which include low electrical conductivity of pure sulfur cathode and loss of active material due to dissolution of intermediate polysulfides from the cathode during repetitive charge – discharge cycling referred commonly as “polysulfide shuttle”. Graphene/Graphene oxide (GO) are being explored as cathodes/cathode supports for Li-S batteries to alleviate these problems. We have employed molecular dynamics simulations to calculate the density distributions of polysulfides (S82−) in dimethoxy ethane (DME) – 2, 4 – dioxalane (DOL) electrolyte (1:1 v/v) in the vicinity of different graphene and GO structures, in order to study the impact of hydroxyl functional groups in GO on anchoring polysulfides. Density distribution of polysulfides provides valuable insight on the role of functional groups in successful anchoring of polysulfides onto the GO cathode supports structures.

scholarly journals The effects of hydroxide and epoxide functional groups on the mechanical properties of graphene oxide and its failure mechanism by molecular dynamics simulations

RSC Advances ◽  
2020 ◽  
Vol 10 (49) ◽  
pp. 29610-29617 ◽  
Author(s):  
Yunjin Sun ◽  
Xing Tang ◽  
Hongwei Bao ◽  
Zhi Yang ◽  
Fei Ma
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulations ◽  
Failure Mechanism ◽  
Functional Groups ◽  
Nano Composites ◽  
Interface Adhesion ◽  
Dynamics Simulations

Graphene oxide (GO) could be assembled via amphiphilic interface adhesion into nano-composites.

scholarly journals Multiscale Modeling of Epoxy-Based Nanocomposites Reinforced with Functionalized and Non-Functionalized Graphene Nanoplatelets

Polymers ◽  
2021 ◽  
Vol 13 (12) ◽  
pp. 1958
Author(s):  
Hashim Al Mahmud ◽  
Matthew S. Radue ◽  
Sorayot Chinkanjanarot ◽  
Gregory M. Odegard
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Aspect Ratio ◽  
Mechanical Response ◽  
Nanocomposite Materials ◽  
Graphene Nanoplatelets ◽  
Pristine Graphene ◽  
Functionalized Graphene ◽  
Functionalized Graphene Oxide ◽  
The Impact

The impact on the mechanical properties of an epoxy resin reinforced with pristine graphene nanoplatelets (GNP), highly concentrated graphene oxide (GO), and functionalized graphene oxide (FGO) has been investigated in this study. Molecular dynamics (MD) using a reactive force field (ReaxFF) has been employed in predicting the effective mechanical properties of the interphase region of the three nanocomposite materials at the nanoscale level. A systematic computational approach to simulate the reinforcing nanoplatelets and probe their influence on the mechanical properties of the epoxy matrix is established. The modeling results indicate a significant degradation of the in-plane elastic Young’s (decreased by ~89%) and shear (decreased by ~72.5%) moduli of the nanocomposite when introducing large amounts of oxygen and functional groups to the robust sp2 structure of the GNP. However, the wrinkled morphology of GO and FGO improves the nanoplatelet-matrix interlocking mechanism, which produces a significant improvement in the out-of-plane shear modulus (increased by 2 orders of magnitudes). The influence of the nanoplatelet content and aspect ratio on the mechanical response of the nanocomposites has also been determined in this study. Generally, the predicted mechanical response of the bulk nanocomposite materials demonstrates an improvement with increasing nanoplatelet content and aspect ratio. The results show good agreement with experimental data available from the literature.

Mechanical Properties of Graphene Oxide/Polyvinyl Alcohol Composite Film

2017 ◽  
Vol 25 (1) ◽  
pp. 11-16 ◽  
Author(s):  
Tao Cheng-an ◽  
Zhang Hao ◽  
Wang Fang ◽  
Zhu Hui ◽  
Zou Xiaorong ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Tensile Strength ◽  
Graphene Oxide ◽  
Hydrogen Bonds ◽  
Polyvinyl Alcohol ◽  
Composite Film ◽  
Functional Groups ◽  
Failure Strain ◽  
Oh Groups ◽  
Enhancement Mechanism

Graphene oxide (GO) was served as mechanical strengthening to prepare GO/Polyvinyl Alcohol(PVA) composite film. This was accomplished in order to explore the influence of contents of GO on the tensile strength and failure strain of GO/PVA composite film. The results showed that as the GO content increased, the tensile strength of the composite film became greater rapidly at first, and then decreased gradually. When the GO content was 20%, the film had its maximum tensile strength (59.6 MPa). This is over 500% of the tensile strength of pure PVA film. The failure strain of GO/PVA composite film decreased rapidly as the GO content increased. The enhancement mechanism of the composite can be explained by the existence of multi-hydrogen bonds between the hydroxyl (-OH) groups of PVA and oxygen-containing functional groups of GO.

scholarly journals Amino Functionalization of Reduced Graphene Oxide/Tungsten Disulfide Hybrids and Their Bismaleimide Composites with Enhanced Mechanical Properties

Polymers ◽  
2018 ◽  
Vol 10 (11) ◽  
pp. 1199 ◽  
Author(s):  
Liulong Guo ◽  
Hongxia Yan ◽  
Zhengyan Chen ◽  
Qi Liu ◽  
Yuanbo Feng ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Graphene Oxide ◽  
Reduced Graphene Oxide ◽  
Tungsten Disulfide ◽  
Amino Groups ◽  
Uniform Dispersion ◽  
Reduced Graphene ◽  
Suitable Amount ◽  
The Stability ◽  
The Impact

A novel graphene-based nanocomposite particles (NH2-rGO/WS2), composed of reduced graphene oxide (rGO) and tungsten disulfide (WS2) grafted with active amino groups (NH2-rGO/WS2), was successfully synthesized by an effective and facile method. NH2-rGO/WS2 nanoparticles were then used to fabricate new bismaleimide (BMI) composites (NH2-rGO/WS2/BMI) via a casting method. The results demonstrated that a suitable amount of NH2-rGO/WS2 nanoparticles significantly improved the mechanical properties of the BMI resin. When the loading of NH2-rGO/WS2 was only 0.6 wt %, the impact and flexural strength of the composites increased by 91.3% and 62.6%, respectively, compared to the neat BMI resin. Rare studies have reported such tremendous enhancements on the mechanical properties of the BMI resin with trace amounts of fillers. This is attributable to the unique layered structure of NH2-rGO/WS2 nanoparticles, fine interfacial adhesion, and uniform dispersion of NH2-rGO/WS2 in the BMI resin. Besides, the thermal gravimetrical analysis (TGA) revealed that the addition of NH2-rGO/WS2 could also improve the stability of the composites.

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