Use Of Nanocomposites Research Articles

Use of Nano composites in industries

High performance materials called Nano composites have unique features. Engineering plastics and elastomers are where Nano composites are most in demand, with an anticipated 25% annual growth rate. Their potential is so great that they are useful in many applications, from packaging to biomedical ones. The many forms of matrix Nano composites are covered in this review, with an emphasis on the need for these materials, their methods of manufacturing, and some recent findings regarding their structure, characteristics, and possible uses. The necessity for such materials in the future as well as other intriguing applications are projected. Applications of nano composites offer new technical and commercial potential for numerous sectors of the aerospace, automotive, electronics, and biotechnology industries because to their environmental friendliness.

Dielectric Biodegradable Biopolymer‐Based Graphene Nanocomposites for Use in the Packaging Industry and Capacitor Application

AbstractIn this study, polyhydroxyalkanoate (PHA) and polylactic acid (PLA)‐Graphene (G) nanocomposite films were synthesized by taking different concentrations of G via the solution casting process, and their structural, mechanical, opacity, thermal and dielectric properties were examined for the first time. Scanning electron microscopy (SEM) was used for investigating surface morphology. Films containing graphene were more opaque than films without graphene. The incorporation of graphene into the polymer matrix improved the mechanical property. The tensile strengths of the control PHA/PLA film and the graphene‐reinforced 1 %G‐PHA/PLA nanocomposite films were 18.98 and 24.34 MPa, respectively. Thermogravimetric analysis results showed that PHA/PLA−G nanocomposites had good thermal stability below 300 °C. Considering the dielectric measurements, it is seen that the dielectric constant (έ) and dielectric loss (ϵ”) decreased with increasing frequency and less changed at higher frequencies. The developer feature of graphene is remarkable in both parameters. The electrical conductivity of PHA/PLA−G nanocomposites was also examined as a function of frequency at room temperature. As the amount of G increased from 1 %wt to 5 %wt, the conductivity of the composites increased.

Improving the quality of palm oil liquid waste using nanocomposite TiO2/EPB activated carbon through adsorption-photodegradation

Abstract. Research has been carried out on the use of nanocomposite of TiO2/activated carbon in reducing the quality parameters of palm oil liquid waste through the adsorption-photodegradation mechanism with DO (dissolved oxygen) parameters. Characterization of samples catalyst nanocomposite of TiO2 /activated carbon was used using Scanning Electron Microscopy (SEM-EDX) and DO parameters with variations in the mass percentage ratio of TiO2/activated carbon are namely (0.4:0.3), (0.6:0.4), (0.5:0.5), (0.4:0.6), and (0.7:0.3). SEM-EDX shows that TiO2 particles stick and spread unevenly on the surface of the activated carbon, and the ratio of the atomic mass of titanium to sample abundance is 0.25. Based on the analysis of DO of palm oil liquid waste using catalyst nanocomposite of TiO2 /activated carbon, it is known that the DO value of palm oil liquid waste increases with the increase in contact time of the TiO2/activated carbon sample with sunlight. This indicates that TiO2/activated carbon can degrade the presence of hazardous chemicals in palm oil liquid waste through the adsorption-photodegradation mechanism.

Construction of 3D Ordered Honeycomb Films with Controllable Pores as Efficient Catalytic Supports

AbstractThe facile construction of 3D porous film using the breath figure technique is critically important in diverse practical applications. However, the discovery of easy synthetic methods and preparation of stimuli‐responsive 3D ordered nano‐/micro‐architectures remain challenging. Herein, the promotive breath figure technique is presented to construct 3D honeycomb porous films on curved substrates using an azobenzene‐containing copolymer. The nanopore size of honeycomb structure decreases gradually with the increase of surface curvature, due to the different solvent drying speeds. Upon irradiation with directional linear polarization light, the round‐shaped nanopores are converted into rectangular‐ and rhombic‐shaped nanopores under different polarization directions. Moreover, these porous films are employed as substrates to load various metal nanoparticles, successfully preparing the nanocomposites. The catalytic capacity of both control and these nanocomposites are evaluated using the NaBH4‐mediated reduction reaction from 4‐nitrophenol to 4‐aminophenol. Compared to the control and nonporous films, the porous films with smaller nanopores exhibit larger catalytic activity. Additionally, UV irradiation upon the nanocomposites promotes the catalytic action, due to the change in surface hydrophilicity caused by the photoisomerization of azobenzene. Recyclable use of nanocomposites demonstrates the high stability. This research provides an innovative strategy to prepare 3D curved porous films for potential on catalysis.

Z. officinale-doped silver/calcium oxide nanocomposites: Catalytic activity and antimicrobial potential with molecular docking analysis

In this study, green synthesized Ag/CaO combined with a reducing agent based on a plant extract was synthesized. Then, the catalytic and antimicrobial potential of extract doped-Ag/CaO was investigated. Bio-reducing synthesis protocol was followed to fabricate Ag/CaO nanocomposites (NCs) by reducing and capping with Zingiber officinale. A series of characterization techniques was employed to examine structural, morphological and optical properties of Ag/CaO. The experimental findings favored doped nanocomposites for use as effective catalysts that degraded toxic dyes such as methylene blue and ciprofloxacin and exhibited strong antimicrobial activity against Escherichia coli (E. coli), and Staphylococcus aureus (S. aueus). Furthermore, a molecular docking investigation determined binding interaction patterns between NCs and targeted cell protein active sites. The obtained results suggested green synthesized Ag/CaO as the most effective inhibitor of dihydrofolate reductase, DNA gyrase, and FabB enzymes. Findings revealed highly economical, non-toxic, and readily available Z. officinale rhizome extract as a potential capping agent to fabricate Ag/CaO for potential applications to reduce major economic losses in the dairy industry for the first time in Pakistan.

Uricase based amperometric biosensor improved by AuNPs-TiS2 nanocomposites for uric acid determination

In this study, gold nanoparticles (AuNPs) as a zero-dimensional nanomaterial and TiS2 nanosheets as a two-dimensional material and their composite were prepared and characterized. These AuNPs-TiS2 nanocomposites interacted with uricase enzyme and Nafion™ and used to modify the working electrode of the Screen-Printed Electrode (SPE). This prepared nanocomposite modified biosensor was used for the determination of uric acid. Transmission electron microscopy (TEM) photos of the resulting nanocomposite showed that AuNPs were dispersed into TiS2 nanosheets without aggregation. It was observed that the enzyme biosensor with the composite modification offered a wide measurement range (5–2000 µM) and exhibited low LOD (0.18 µM). The prepared uric acid biosensor has high sensitivity, low Km value, and fascinating storage stability. This uric acid biosensor showed high selectivity towards uric acid in the presence of urea, L-cysteine, glucose, and ascorbic acid. Additionally, this biosensor was successfully used for the determination of uric acid in commercial human serum with high recovery. This study revealed that the use of nanocomposites in biosensor design will yield impressive results.

Occupational Safety Analysis for COVID-Instigated Repurposed Manufacturing Lines: Use of Nanomaterials in Injection Moulding.

The COVID-19 pandemic instigated massive production of critical medical supplies and personal protective equipment. Injection moulding (IM) is considered the most prominent thermoplastic part manufacturing technique, offering the use of a large variety of feedstocks and rapid production capacity. Within the context of the European Commission-funded imPURE project, the benefits of IM have been exploited in repurposed IM lines to accommodate the use of nanocomposites and introduce the unique properties of nanomaterials. However, these amendments in the manufacturing lines highlighted the need for targeted and thorough occupational risk analysis due to the potential exposure of workers to airborne nanomaterials and fumes, as well as the introduction of additional occupational hazards. In this work, a safety-oriented failure mode and effects analysis (FMEA) was implemented to evaluate the main hazards in repurposed IM lines using acrylonitrile butadiene styrene (ABS) matrix and silver nanoparticles (AgNPs) as additives. Twenty-eight failure modes were identified, with the upper quartile including the seven failure modes presenting the highest risk priority numbers (RPN), signifying a need for immediate control action. Additionally, a nanosafety control-banding tool allowed hazard classification and the identification of control actions required for mitigation of occupation risks due to the released airborne silver nanoparticles.

A pilot project of TESS equipped with two models of encapsulation for nano-enhanced organic PCMs

ABSTRACT The unique thermal energy storage system (TESS) as an auxiliary system of solar water heater has a critical part to demonstration in preserving and efficiently utilizing energy, resolving demand-supply mismatches, and boosting the efficiency of energy systems. In this research, a suitable Nano enhanced-Composite Phase Change Material (NCPCM) was prepared to utilize in two model of metal cylinders. First of all, an experimental test for determination of melting point has been investigated by temperature variation test (TVT) method for NCPCM based on paraffin component. Then, two nanomaterial types (TiO2 and CuO) mixed at 50%/50% with two concentrations (0.6% and 0.12%) were dispersed with slack paraffin to provide a total of four experiments to compare the average temperature evolution and exergy efficiency. A theoretical framework for exergy analysis give away that use of nano composites in PCMs will improve efficiency rather than a single nanomaterial. However, to assess capability of this system to integrate with solar water heater, if there is no solar radiation limitation, NCPCM with 1.2% wt. will be a better choice with higher cylinders diameter (HD-Cylinders). Neverthless, for climates with limited time in storage energy, NCPCM with 1.2% wt. and lower cylinders diameter (LD-Cylinders) is our best suggestion for maximum efficiency that can be used during the peak solar energy period. Therefore, by considering NCPCM and integrating this novel study with solar technologies as a reliable heat source, outline is an excellent way for saving energy consumption in buildings at any remote area.

Zinc-Doped Gold/Cobalt Ferrite Nanoparticles in Studying the Cytotoxic Effect on T-Lymphoblastic Leukemia Cells

The rapid development of the nanomaterials’ application’s fields in biomedicine is associated with the expanded possibilities of combining their properties in composite materials. The use of nanocomposites allows application in various types of therapy or theranostics. In this work, we propose a new approach for the fabrication of a gold/ferrite nanocomposite, which consists of gold particles up to 10 nm in diameter surrounded by small nanoparticles of cobalt ferrite (~5 nm) doped with zinc. The gold core is coated with arginine, while the ferrite particles have dihydrocaffeic acid shell. The fabricated nanocomposite possesses optical and magnetic properties due to the excitation of localized plasmon resonance in gold particles and the superparamagnetic state of ferrite particles. The results of studying the structural, magnetic, and optical properties, as well as the cytotoxicity of the obtained nanocomposite, allow us to conclude that it can be used in combined photo- and magnetic hyperthermic therapy.

Customizable conductive nanocomposites for use in wearable electronics

Nanocomposite materials combine the strength and flexibility of a polymer matrix with the conductivity of filler material

Flexoelectricity-Enhanced Photovoltaic Effect in Self-Polarized Flexible PZT Nanowire Array Devices.

In this investigation, we report the flexoelectricity-enhanced photovoltaic (FPV) effect in a flexible Pb(Zr0.52Ti0.48)O3 nanowire (PZT NW) array/PDMS (polydimethylsiloxane) nanocomposite. The simulation result of density functional theory (DFT) indicated that the FPV effect in PZT NWs can be greatly affected by the interactions of the strain gradients with the internal field generated by self-polarization. We found that when the nanocomposite film was curved down, the photovoltaic current of the aligned PZT-NW/PDMS composite increased by 84.6-fold and 27.6-fold compared with the PZT-nanoparticles/PDMS and randomly aligned PZT-NW/PDMS nanocomposites at the same curvature, respectively. This is mainly ascribed to the increased flexoelectricity in the aligned PZT-NW/PDMS nanocomposite. This study will contribute to a full understanding of the influence of nanoparticle shape on the flexophotovoltaic effect of nanocomposites. It will have potential use in nanocomposites for the study of the FPV effect and associated applications.

Evaluation of electrodes composed of europium tungstate/reduced graphene oxide nanocomposite for use as supercapacitors

For the first time, Eu2(WO4)3 nanoparticles (EWNPs) were fabricated and anchored on reduced graphene oxide (RGO) through a sonochemical procedure. The supercapacitive behavior of the product, namely EWNP/RGO was studied using galvanostatic charge-discharge (GCD), cyclic voltammetry (CV) and impedance spectroscopy (ES). Nanostructured EWNP-RGO had a specific capacitance of 462 Fg−1 in a 2.0 M H2SO4 solution at 2 mVs−1, and of 423 Fg−1 in GCD tests at 1 Ag−1, which was attributed to the synergy of the EWNPs and the RGO sheets, the considerable charge mobility, as well as the flexibility of RGO sheets. EWNP/RGO electrodes were found to have 104.2% of their initial specific capacitance after 4000 cycles. Based on the results the EWNP/RGO nanocomposites was regarded as a composite with suitable functional performance for energy storage applications.

The Effects of Nanoparticle Additives on Thermophysical Properties of Concrete Mixtures

In recent years, energy-retrofitting is becoming an imperative aim for existing buildings worldwide and increased interest has focused on the development of nanoparticle blended concretes with adequate mechanical properties and durability performance, through the optimization of concrete permeability and the incorporation of the proper nanoparticle type in the concrete matrix. In order to investigate the potential use of nanocomposites as dense barriers against the permeation of liquids into the concrete, three types of nanoparticles including Zinc Oxide (ZnO), Magnesium Oxide (MgO), and composite nanoparticles were used in the present study as partial replacement of cement. Besides, the effect of adding these nanoparticles on both pore structure and mechanical strengths of the concrete at different ages was determined, and scanning electron microscopy (SEM) images were then used to illustrate the uniformity dispersion of nanoparticles in cement paste. It was demonstrated that the addition of a small number of nanoparticles effectively enhances the mechanical properties of concrete and consequently reduces the extent of the water permeation front. Finally, the behavioral models using Genetic Algorithm (GA) programming were developed to describe the time-dependent behavioral characteristics of nanoparticle blended concrete samples in various compressive and tensile stress states at different ages.

Determination of Shear Bond Strength of Nanocomposite to Porcelain and Metal Alloy

Objective: To compare porcelain and metal repair done with both nanocomposite and conventional composite. Material and Methods: A total of 30 cylinders were fabricated from Porcelain (I), Porcelain fused to metal (II), and metal (III) substrate each. Control group (A) was bonded with conventional micro-hybrid composite and experimental group (B) was bonded with nanocomposite in a 2 mm thickness. All specimens were thermocycled and stored in distilled water at 37 °C for 7 days. A universal testing machine was used to measure the Shear bond strength (SBS). The difference between bond strengths of the groups was compared using an independent t-test. Results: In all three groups, the SBS was higher in the experimental group as compared to the control group. The use of nanocomposite of metal alloy presented maximum shear bond strength, followed by samples of porcelain fused to metal and finally porcelain, showing the lowest values of SBS. Conclusion: Porcelain and alloys bonded with nanocomposite exhibit enhanced adhesiveness as well as aesthetic and mechanical properties. This subsequently would translate into providing higher clinical serviceability and durability and hence a cost-effective and accessible repair option for human welfare.

Effect of graphene nanoparticles on suspension viscosity and mechanical properties of epoxy-based nanocomposites

The use of nanocomposite materials in many industrial applications has been increasing in recent years due their superior mechanical performance and reduced weight. Among the nanoparticles available for use in nanocomposites, graphene appears as one of the most promising due to its excellent mechanical and electrical properties. Therefore, the objective of this work is to analyse the properties of an epoxy resin and how they were affected by the presence of graphene. Epoxy resin viscosity, contact angle between graphene particles and resin, effect of mixture condition on polymerization rate and shrinkage tests were performed. The effects of the pre-cure temperature, between 7ºC and 40ºC, and hardener mixing times on the mechanical properties of the nanocomposite were studied. It was observed that the presence of graphene (0.5 wt.%) in the epoxy resin increased the viscosity by 4.2% and the shrinkage increased from 3.2 % to 5.7%. It was also possible to conclude that higher hardener mixing times and lower pre-cure temperatures had a very positive impact on the mechanical properties. Concerning the graphene content, the best mechanical properties were obtained with 0.5 wt.%, for which an increase of maximum bending stress between 8% and 31% was observed, depending on the pre-cure temperature.

Impacts of ingested MWCNT-Embedded nanocomposites in Japanese medaka (Oryzias latipes)

Polymer nanocomposites combine the versatile, lightweight characteristics of polymers with the properties of nanomaterials. Polyethylene terephthalate glycol (PETG) is commonly used in polymer additive manufacturing due to its controllable transparency, high modulus, and mechanical properties. Multi-walled carbon nanotubes (MWCNTs) add tensile strength, electrical conductivity, and thermal stability. The increased use of nanocomposites has led to concern over potential human health risks. We assessed morphologic alterations to determine impacts of ingested abraded nanocomposites compared to its component materials, pristine MWCNTs (1000 mg/L) and PETG. Adult transparent Japanese medaka (Oryzias latipes) were administered materials via oral gavage in 7 doses over 16 days. In vivo observations revealed altered livers and gallbladders following exposure to pristine MWCNTs and nanocomposites. Subsequent histologic sections showed fish exposed to pristine MWCNTs had highly altered biliary structures, and exposure to nanocomposites resulted in hepatocellular alteration. Thyroid follicle proliferation was also observed in fish exposed to materials containing MWCNTs. Transmission electron microscopy of livers showed that hepatocytes of fish exposed to MWCNTs had widespread swelling of rough endoplasmic reticulum, pronounced lysosomal activity, and swelling of intrahepatic biliary passageways. Fish exposed to nanocomposites had areas of degenerated hepatocytes with interspersed cellular debris. Each analysis showed that fish exposed to pristine PETG were most similar to controls. These results suggest that MWCNTs are the source of toxicity in abraded nanocomposite materials but that nanocomposites may also have some unique effects. The similarities of many teleost and mammalian tissues are such that these findings may indicate human health risks.

Adsorption Potential of Nanocomposites for the Removal of Toxins in Healthcare

Industrial wastewater is one of the by-products of several industries, and it consists of water that requires treatment before it is discharged into water bodies. The presence of toxins in wastewater, such as dyes and heavy metals, is hazardous to human health and requires effective removal to reduce environmental pollution. Industrial wastewater treatment has become a global concern in healthcare and the environment leading to the development of various technologies for the removal of toxins from wastewater. Various processes and technologies, such as advanced oxidation processes, adsorption and membrane technology, show potential in treating industrial wastewater. Another source of toxins in the form of pesticides is harmful to human health, leading to severe health problems. Nanocomposites show potential as efficient adsorbents for the removal of toxins owing to the enhanced adsorption capacity, promising physicochemical properties and high surfaceto- volume ratio due to nanoscale dimension. Nanocomposites are cost-effective and efficient nanoadsorbents for the removal of various toxins. This review focuses on the potential applications of nanocomposites as adsorbents for the removal of toxins like dyes, heavy metals and pesticides from wastewater and biological systems. The use of nanocomposites as efficient adsorbents in the removal of toxins, various isotherm models, and adsorption kinetics applied in the mechanism of adsorption is also discussed in the article. In the near future, nanocomposites may provide a simple, economic and efficient adsorption system for the removal of toxins from wastewater and biological systems.

In English

Сombination of properties of lectins and magnetically sensitive iron-containing nanocomposites (NC) for use in oncology is actual and promising from scientific and applied point of view. The aim of the research is to synthesize and to study new iron-containing NC and magnetic fluids containing bioactive bacterial lectin, promising for use as prototypes of new effective antitumor vector systems for targeted drug delivery and combined local therapy of cancer with minimized side effects on the body and improved compatibility with other remedies. To create vector systems, nanodisperse magnetite was synthesized by the Elmore reaction. The synthesis of aluminum-containing coating on the surface of Fe3O4 was carried out by double chemical modification with aluminum isopropylate. The obtained Fe3O4/Al2O3 NC was impregnated with sucrose solutions. Carbonization of the carbohydrate shell of NC was carried out in argon (500 °C). As a result, Fe3O4/Al2O3/C NC was obtained. The magnetic properties of nanostructures were measured using a laboratory vibration magnetometer of Foner type at room temperature. Adsorption immobilization of lectin was performed in 0.9 % NaCl solution in a dynamic mode at room temperature. Bacterial cytotoxic lectin of B. subtilis IMB B-7724 was used in the experiments. The amount of adsorbed substance (A) on the surface of nanocomposites was determined by measuring the concentration of lectin in the contact solutions before and after adsorption using a calibration graph. Measuring of the optical density and absorption spectra of lectin was performed on a spectrometer Lambda 35 UV/vis Perkin Elmer Instruments at λ = 280 nm. Standard techniques and equipment were used for biological research. The processes of adsorption immobilization of cytotoxic bacterial lectin of B. subtilis IMB B-7724 from physiologic saline on the surface of magnetite and carbon-containing Fe3O4/Al2O3/C NC were studied at room temperature. It has been found that the adsorption capacity of lectin on the surface of magnetite is 25.3 mg/g, and Fe3O4/Al2O3/C NC – 36.3 mg/g (at initial concentrations of lectin 0.06–0.4 mg/mL). The extraction extent of lectin R (%) was 12–38 % for magnetite and 46–67 % for Fe3O4/Al2O3/C NC. The dependence of the adsorption capacity on time was studied. A magnetic fluid (MF) based on single-domain Fe3O4, containing lectin was synthesized and investigated. Immobilization of lectin on MF particles was carried out in a dynamic mode at room temperature for 3 hours. The concentration of lectin in the composition of MF was 0.2 mg/mL. MF with immobilized lectin was further modified with PEG-2000. The synthesis of Fe3O4/ol.Na/lectin/PEG (ol.Na – sodium oleate) vector system was carried out in a dynamic mode for 3 hours. Modification of the surface of nanoparticles with polyethylene glycol was performed in order to increase the stability of the magnetic fluid, reducing the aggregation of particles. To determine the effect of experimental samples on the viability of MCF-7 cells in vitro, the following samples were prepared: Fe3O4/ol.Na/PEG (MF), CFe3O4 = 3 mg/mL; cytotoxic lectin of B. subtilis IMB B-7724 (CL), CCL = 0.2 mg/mL; nanobiocomposite (NBC). Nanobiocomposite based on MF and bacterial lectin was found to have a synergistic cytotoxic effect on MCF-7 human breast cancer cells, causing up to 40 % cell death. The IC50 values for the nanobiocomposite and lectin in relation to MCF-7 cells were 100 and 125 μg/mL, respectively. The results of research show that the combination of properties of lectins and magnetically sensitive iron-containing NC for use in oncology is a promising direction in creating new effective antitumor vector systems for targeted drug delivery and combined local therapy of cancer. The use of natural components in vector systems is a way to minimize the side effects on the body and improve compatibility with other antitumor remedies.

High performance carbon dioxide foams of nanocomposites of binary colloids for effective carbon utilization in enhanced oil recovery applications

Most of conventional carbon dioxide (CO2) foams show limitations in practical applications due to several issues such as thermal stability, disintegration of bubble, dissolution of lamella, and deterioration of rheological property. However, stability of these foams can be improved by including a nanomaterial that makes them stable via Pickering stabilization. Homo-agglomeration, causing large size aggregates, is an important issue with colloidal formulations which reduces foam efficacy due to unsuccessful nanoparticle (NP) adsorption on CO2 surface. Therefore, this study reports the use of nanocomposite of binary NPs (SiO2 and TiO2) in stabilizing CO2 foams at moderate pressure (70 bar) and temperature (90 °C) conditions, to find their use in oilfield practices. CO2 foam stabilized by nanocomposites was studied for thermal stability using microscopic and rheological analysis at 70 bar/90 °C followed by UV–vis and contact angle tests to investigate colloidal interaction with CO2. TiO2 inclusion resulted into remarkable changes in the thermal stability and rheological behavior of SF foam by delaying the process of CO2 coalescence. In addition, the study suggests that TiO2 NP reduces the size of foam bubble through enhanced adsorption as demonstrated by lamella formation and that foam (STF-3, 0.5 wt% SiO2 + 0.1 wt% TiO2) showed least dependency on varying shear, pressure, and temperature conditions. Moreover, the rheological properties such as viscosity and viscoelastic nature of CO2 foams, stabilized by these nanocomposites, show potential for real field applications. Thus, the proposed study highlights the important mechanism of CO2 foam of binary NP system (nanocomposites) followed by rheological analysis of CO2 foam at real conditions, which is useful for CO2 based oil recovery applications.

Interactions between Reduced Graphene Oxide with Monomers of (Calcium) Silicate Hydrates: A First-Principles Study.

Graphene is a two-dimensional material, with exceptional mechanical, electrical, and thermal properties. Graphene-based materials are, therefore, excellent candidates for use in nanocomposites. We investigated reduced graphene oxide (rGO), which is produced easily by oxidizing and exfoliating graphite in calcium silicate hydrate (CSHs) composites, for use in cementitious materials. The density functional theory was used to study the binding of moieties, on the rGO surface (e.g., hydroxyl-OH/rGO and epoxide/rGO groups), to CSH units, such as silicate tetrahedra, calcium ions, and OH groups. The simulations indicate complex interactions between OH/rGO and silicate tetrahedra, involving condensation reactions and selective repairing of the rGO lattice to reform pristine graphene. The condensation reactions even occurred in the presence of calcium ions and hydroxyl groups. In contrast, rGO/CSH interactions remained close to the initial structural models of the epoxy rGO surface. The simulations indicate that specific CSHs, containing rGO with different interfacial topologies, can be manufactured using coatings of either epoxide or hydroxyl groups. The results fill a knowledge gap, by establishing a connection between the chemical compositions of CSH units and rGO, and confirm that a wet chemical method can be used to produce pristine graphene by removing hydroxyl defects from rGO.