☆ 4.7 Review

Review of functionalized nano porous membranes for desalination and water purification: MD simulations perspective

ENVIRONMENTAL RESEARCH (2023)

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Article Environmental Sciences

Novel enzymatic graphene oxide based biosensor for the detection of glutathione in biological body fluids

Somaye Cheraghi et al.

Summary: In this study, a novel enzymatic biosensor based on GSH-Px, GO, and nafion was developed for the electrochemical sensing of GSH in body fluids. The biosensor showed improved detection sensitivity and reliability, successfully used for the determination of GSH in real samples.

CHEMOSPHERE (2022)

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Article Engineering, Chemical

Molecular insights on Ca2+/Na+ separation via graphene-based nanopores: The role of electrostatic interactions to ionic dehydration

Yumeng Zhang et al.

Summary: This study investigates the effect of different functional groups on the separation performance of Ca2+ and Na+ in graphene nanopores. Results show that group modification can improve the separation efficiency and provide guidelines for applications.

CHINESE JOURNAL OF CHEMICAL ENGINEERING (2022)

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Article Materials Science, Multidisciplinary

Molecular insight into water desalination through functionalized graphenylene nanosheet membranes

Mostafa Jahangirzadeh et al.

Summary: The study utilized molecular dynamics simulations to investigate the performance of functionalized graphenylene membranes for seawater desalination. It was found that introducing hydrophilic chemical functions can significantly improve desalination performance, with systems possessing fluorinated pores showing the best performance and those with combined fluorine and hydroxyl groups exhibiting promising results even under lower external pressures.

COMPUTATIONAL MATERIALS SCIENCE (2022)

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Article Chemistry, Physical

Electric field tunable Li+ selectivity by eliminating coulomb blockage effect of phosphonic acid-modified graphene nanopores: A molecular simulation study

Xing-Yi Yue et al.

Summary: The selective Mg2+/Li+ separation of phosphonic acid-modified graphene nanopores is influenced by the dehydration of ions, the interaction of ions with functional groups, the driving force of ion transportation, and the size of the nanopores. As these factors interact, the Li+ selectivity may decrease even as the driving force and pore size increase.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Physical

Investigation of doped carbon nanotubes on desalination process using molecular dynamics simulations

Mohsen Abbaspour et al.

Summary: Doping of CNTs is an important way to improve the different properties of carbon materials. This research investigated the effects of different elements doping in CNTs on the desalination process, with results showing that BN and SiC nanotubes have the most water flux and ion rejection, respectively.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Physical

Effect of oxygen-containing functional groups of layered graphene oxide membrane on the removal of amoxicillin: a molecular dynamics study

P. Rajasekhar Reddy et al.

Summary: This study investigates the removal of amoxicillin from pharmaceutical industrial wastewater using non-lamellar graphene oxide membrane through non-equilibrium molecular dynamics simulations. The number of oxygen-containing functional groups on the membranes influences the water and ion permeability, with reduced functional groups leading to smaller pores and lower water permeance. The retention and dynamics of amoxicillin molecules on the membrane are attributed to strong interactions with hydroxyl and epoxy functional groups on the GO nanosheets.

MOLECULAR SIMULATION (2022)

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Article Chemistry, Multidisciplinary

Hexagonal cerium oxide decorated on β-Ni(OH)2 nanosheets stabilized by reduced graphene oxide for effective sensing of H2O2

S. G. Manjushree et al.

Summary: The Ce-Ni(OH)(2)/rGO composite, with its unique two-dimensional hexagonal nanostructures, shows promising electrochemical performance for H2O2 sensing applications. The composite exhibits high sensitivity, selectivity, repeatability, and stability, making it a potential option for H2O2 sensing.

CARBON LETTERS (2022)

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Article Chemistry, Multidisciplinary

Preparation of ethanediamine-doped carbon quantum dots and their applications in white LEDs and fluorescent TLC plate

Wenya Wang et al.

Summary: In this study, a bottom-up approach was utilized to produce nitrogen-doped carbon quantum dots (N-CQDs) through hydrothermal treatment of microcrystalline cellulose with different nitrogen sources. Among these sources, Ethylenediamine (EDA) was found to yield N-CQDs with the highest fluorescence intensity and quantum yields. The fabricated N-CQDs are uniform spherical particles with excitation-dependent and long-wave emission properties, suitable for white LED light emission and fluorescent thin layer chromatography plate preparation.

CARBON LETTERS (2022)

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Article Engineering, Chemical

Three-dimensional graphene network supported nickel-cobalt bimetallic alloy nanocatalyst for hydrogen production by hydrolysis of sodium borohydride and developing of an artificial neural network modeling to forecast hydrogen production rate

Onur Karaman

Summary: In this study, a Ni-Co@3DG nanostructure catalyst was fabricated and its performance in NaBH4 hydrolysis reaction was evaluated experimentally and computationally. The results demonstrated that the catalyst exhibited superior catalytic activity and reusability, and artificial neural network models were used to predict the hydrogen production rate, providing valuable information for optimizing catalyst design.

CHEMICAL ENGINEERING RESEARCH & DESIGN (2022)

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Article Engineering, Chemical

Hydrogen production via sodium borohydride hydrolysis catalyzed by cobalt ferrite anchored nitrogen-and sulfur co-doped graphene hybrid nanocatalyst: Artificial neural network modeling approach

Hamed Jafarzadeh et al.

Summary: In this study, the kinetics of hydrogen production in alkaline sodium borohydride hydrolysis were enhanced by using a cobalt ferrite anchored nitrogen-and sulfur-doped graphene catalyst. An optimal artificial neural network (ANN) model was developed to predict hydrogen production rate under different operational conditions.

CHEMICAL ENGINEERING RESEARCH & DESIGN (2022)

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Article Environmental Sciences

Congo red dye removal from aqueous environment by cationic surfactant modified-biomass derived carbon: Equilibrium, kinetic, and thermodynamic modeling, and forecasting via artificial neural network approach

Ceren Karaman et al.

Summary: This study aimed to optimize, model, and forecast the biosorption of Congo Red onto biomass-derived bio-sorbent. The waste-orange-peels were processed to fabricate biomass-derived carbon, which was activated and modified. The physicochemical properties of the biosorbents were explored, and the effects of various factors on biosorption capacity were investigated. The findings revealed that the optimized ANN model can predict the behavior of the biosorption process accurately.

CHEMOSPHERE (2022)

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Article Environmental Sciences

Utilization of a double-cross-linked amino-functionalized three-dimensional graphene networks as a monolithic adsorbent for methyl orange removal: Equilibrium, kinetics, thermodynamics and artificial neural network modeling

Ceren Karaman et al.

Summary: In this study, a high-performance monolithic adsorbent was developed for the adsorption of methyl orange (MO). The amino-functionalized three-dimensional graphene networks (3D-GNf), fabricated via hydrothermal self-assembly and double-crosslinking strategies, exhibited the desired reusability and high capacity. Both batch-adsorption studies and an artificial neural network (ANN) approach were employed to evaluate the potential use of 3D-GNf as an adsorbent for MO removal. The experimental results were consistent with the ANN-based data, indicating the applicability of the suggested ANN model for predicting cationic dye adsorption.

ENVIRONMENTAL RESEARCH (2022)

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Article Food Science & Technology

Electrochemical quantification of mancozeb through tungsten oxide/ reduced graphene oxide nanocomposite: A potential method for environmental remediation

Jamil A. Buledi et al.

Summary: This study presents a method for electrochemical monitoring of mancozeb using WO3/rGO nanocomposite. The nanocomposite was characterized and found to have good crystallinity and nanometric size. By modifying a glassy carbon electrode, the detection of mancozeb was achieved, and acceptable recovery values were obtained in real vegetable samples.

FOOD AND CHEMICAL TOXICOLOGY (2022)

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Article Optics

Plasmonic origami: tuning optical properties by periodic folding of a gold nano film

S. Wang et al.

Summary: This study introduces a plasmonic metasurface with a rich dispersion spectrum and tunable absorption, which is promising for various photonic, light harvesting, and sensing applications.

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS (2022)

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Review Environmental Sciences

A review on magnetic sensors for monitoring of hazardous pollutants in water resources

Akbar Hojjati-Najafabadi et al.

Summary: This study reviews the idea of using magnetic sensors to control and monitor hazardous pollutants in water resources. It discusses water pollutants and toxicology in different water sources and emphasizes the potential of magnetic materials as sensors for pollutant control. The study highlights the importance of controlling hazardous pollutants and the environmental applications of magnetic nano sensors in water resources.

SCIENCE OF THE TOTAL ENVIRONMENT (2022)

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Development of nitrogen-decorated carbon dots (NCDs) thermally conductive film for windows application

Ronn Goei et al.

Summary: In this study, a thermally conductive film was developed using carbon dots with high thermal conductivity, and nitrogen atoms were added to enhance lateral thermal conductivity. The film is transparent, blocks UV and high-intensity blue light radiation, and can offer optimized thermal energy management to modern buildings without adding weight and cost.

CARBON LETTERS (2022)

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Article Chemistry, Multidisciplinary

Nanochemistry approach for the fabrication of Fe and N co-decorated biomass-derived activated carbon frameworks: a promising oxygen reduction reaction electrocatalyst in neutral media

Hassan Karimi-Maleh et al.

Summary: This study successfully improved the performance of the oxygen reduction reaction (ORR) in neutral media by tailoring a biomass-derived ORR electrocatalyst. The iron- and nitrogen-doped activated carbon framework showed superior ORR activity and long-term stability. The catalyst also demonstrated lower onset potential and better resistance to sulfur poisoning compared to the traditional platinum-based catalyst, paving the way for the development of low-cost nanocatalysts.

JOURNAL OF NANOSTRUCTURE IN CHEMISTRY (2022)

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Article Engineering, Chemical

Effects of Graphene Oxide Nanosheets and Al2O3 Nanoparticles on CO2 Uptake in Semi-clathrate Hydrates

Hussein Hassan et al.

Summary: Gas hydrate/clathrate hydrate formation is an innovative method to trap CO2 into hydrate cages under appropriate thermodynamic and/or kinetic conditions. Nanoparticles, such as graphene oxide (GO) nanosheets and Al2O3 nanoparticles, can be utilized as effective kinetic promoters for hydrates of (CO2 + TBAB), resulting in increased storage capacity compared to TBAB aqueous solution systems.

CHEMICAL ENGINEERING & TECHNOLOGY (2021)

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Article Chemistry, Physical

Effect of linker configuration and functionalization on the seawater desalination performance of Zr-MOF membrane

Ningkai Shu et al.

Summary: The study found that the configuration and functionalization of the linker can significantly affect the desalination performance of Zr-MOF membranes. Functionalized linkers can increase the salt rejection rate of the membrane and improve water permeability.

CHEMICAL PHYSICS LETTERS (2021)

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Article Chemistry, Physical

Functionalized boron nitride nanosheet as a membrane for removal of Pb2+ and Cd2+ ions from aqueous solution

Jafar Azamat et al.

Summary: The study investigated the removal of cadmium and lead ions from water using boron nitride nanosheet membrane with functionalized pores and applied voltage, showing good performance in heavy metals separation process.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Environmental Sciences

Ecofriendly and low-cost synthesis of ZnO nanoparticles from Acremonium potronii for the photocatalytic degradation of azo dyes

Fuad Ameen et al.

Summary: Nanoparticles are widely used in various fields due to their unique properties such as size and surface ratio. This study synthesized zinc oxide nanoparticles with sizes ranging between 13 and 15 nm using a new fungal species and demonstrated their catalytic activity in dye degradation.

ENVIRONMENTAL RESEARCH (2021)

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Article Chemistry, Physical

Efficient Removal of Heavy Metals from Aqueous Solutions through Functionalized γ-Graphyne-1 Membranes under External Uniform Electric Fields: Insights from Molecular Dynamics Simulations

Sima Majidi et al.

Summary: Carbon-based nanosheet membranes with functionalized pores show potential for water treatment, with -NH2-functionalized gamma-graphyne-1 outperforming -COOH-functionalized gamma-graphyne-1 in separating Cu2+ ions, while Hg2+ ions encounter energy barriers passing through the membrane, especially in -COOH-functionalized pores.

JOURNAL OF PHYSICAL CHEMISTRY B (2021)

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Article Materials Science, Multidisciplinary

Theoretical investigation of the removal of nitrate ions from contaminated aqueous solution using functionalized silicon carbide nanosheets

Jafar Azamat

Summary: The study investigated the removal of NO3- contaminants from aqueous solutions using SiCNS membrane through MD simulations. The functionalized pores effectively blocked nitrate ions while allowing easy permeation of water molecules, confirming high water permeability and nitrate ion rejection of the membrane.

COMPUTATIONAL MATERIALS SCIENCE (2021)

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Article Materials Science, Multidisciplinary

A NOVEL DESIGN OF PERISTALTIC CARBON NANO PUMP AND AN ANALYSIS OF HELIUM FLOW

M. Gokhan Gunay et al.

Summary: A novel nano-scale pump is designed for transporting atoms or small molecules using a peristaltic motion, and its effectiveness is confirmed by molecular dynamics simulations. The study shows that rotor frequency linearly increases the velocity of helium, while the blade count has minimal impact on velocity.

MATERIALI IN TEHNOLOGIJE (2021)

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Article Chemistry, Physical

Layered graphene oxide membranes functioned by amino acids for efficient separation of metal ions

Bo Zheng et al.

Summary: By incorporating amino acid functional groups into graphene oxide membranes, the retention efficiency for lead ions can be significantly enhanced at the cost of a slight decrease in water permeability.

APPLIED SURFACE SCIENCE (2021)

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Article Engineering, Chemical

Efficient isotropic water desalination in anisotropic lamellar nano-channels formed by layered black phosphorus membrane

Yixiang Li et al.

Summary: The study demonstrates that layered black phosphorus can be an efficient membrane for seawater desalination, with nano-channels effectively blocking ionic passage. Defects in the membrane have little impact on water filtration performance, indicating the robustness of the black phosphorus-based nano-channels.

DESALINATION (2021)

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Review Environmental Sciences

A review on metal-based nanoparticles and their toxicity to beneficial soil bacteria and fungi

Fuad Ameen et al.

Summary: The unregulated deposition of metal-based nanoparticles in terrestrial ecosystems, especially in agricultural systems, has severely threatened the diversity of beneficial microbial populations such as soil bacteria and fungi. The literature suggests toxic outcomes of nanoparticle-fungi and nanoparticle-bacteria interactions, highlighting the importance of beneficial soil bacteria and fungi for soil fertility and plant growth.

ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY (2021)

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Article Chemistry, Multidisciplinary

Growth of rGO nanostructures via facile wick and oil flame synthesis for environmental remediation

G. S. Lekshmi et al.

Summary: This study introduces an environmentally friendly and cost-effective method for large-scale production of high-quality rGO directly from used cooking sunflower oil. The produced graphene structures are effective in absorbing used commercial sunflower oil and engine oil, utilizing various adsorption mechanisms such as van der Waals forces and pi-pi stacking.

CARBON LETTERS (2021)

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Article Engineering, Chemical

Efficient separation of small organic contaminants in water using functionalized nanoporous graphene membranes: Insights from molecular dynamics simulations

Jason Yang et al.

Summary: This study investigates the potential of single-layer nanoporous graphene membranes for removing common organic contaminants through molecular dynamics simulations. The results show that pore size, hydrophobicity, and hydrophilicity significantly impact water permeability and organic selectivity of the membranes, with molecular size being the primary controlling factor.

JOURNAL OF MEMBRANE SCIENCE (2021)

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Article Chemistry, Physical

Molecular insights into desalination performance of lamellar graphene membranes: Significant of hydrophobicity and interlayer spacing

Chen Chen et al.

Summary: This study investigates the effect of interlayer spacing and hydrophilicity on the desalination performance of multilayer graphene-based membranes. It was found that water flux increased with decreasing hydrophilicity, and rejection rate was mainly determined by the effective distance of interlayer spacing.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Nanoscience & Nanotechnology

Advanced carbon materials with different spatial dimensions for supercapacitors

Xiaoliang Wu et al.

Summary: The study summarizes the main commercial electrode materials for supercapacitors as carbon materials, and the unique properties of carbon materials with different dimensions as electrode materials. It also discusses key issues for enhancing the electrochemical properties of carbon-based supercapacitors and the relationships among various influencing parameters.

NANO MATERIALS SCIENCE (2021)

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Electrocatalytic and photocatalytic performance of noble metal doped monolayer MoS2 in the hydrogen evolution reaction: A first principles study

Zheng Zhang et al.

Summary: Noble metal doping can enhance the electrocatalytic performance of monolayer MoS2, but is unfavorable for its photocatalytic performance. The doping reduces the band gap, improves the electron transport performance, and lowers the activation energy for water splitting.

NANO MATERIALS SCIENCE (2021)

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Vishal Kandathil et al.

Summary: A facile synthesis of cellulosic-carbon-shielded palladium-magnetic nanoparticle hybrid material (Pd-MNP@SCB) was demonstrated, showcasing its efficient performance in catalysis and energy storage applications with good recyclability and cycling stability.

JOURNAL OF NANOSTRUCTURE IN CHEMISTRY (2021)

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Fabrication of surface-engineered superparamagnetic nanocomposites (Co/Fe/Mn) with biochar from groundnut waste residues for the elimination of copper and lead metal ions

Dhanya Vishnu et al.

Summary: This study utilized integrated magnetic nanoparticles and biochar to treat copper and lead pollutants in industrial wastewater, achieving enhanced adsorption and efficient removal. Analytical techniques demonstrated the excellent adsorption capacity and reaction characteristics of the nanoadsorbent.

JOURNAL OF NANOSTRUCTURE IN CHEMISTRY (2021)

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Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations

Roghayeh Jafarzadeh et al.

STRUCTURAL CHEMISTRY (2020)

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New molecular understanding of hydrated ion trapping mechanism during thermally-driven desalination by pervaporation using GO membrane

Withita Cha-Umpong et al.

JOURNAL OF MEMBRANE SCIENCE (2020)

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ACS APPLIED MATERIALS & INTERFACES (2020)

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Functionalized nanoporous graphene membrane for water desalination; Effect of feed salinity on permeability and salt rejection, a molecular dynamics study

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The effect of chemical functional groups and salt concentration on performance of single-layer graphene membrane in water desalination process: A molecular dynamics simulation study

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Atomistic understanding of functionalized γ-graphyne-1 nanosheet membranes for water desalination

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Understanding the effect of hydroxyl/epoxy group on water desalination through lamellar graphene oxide membranes via molecular dynamics simulation

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DESALINATION (2020)

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Effect of chemistry and geometry of GO nanochannels on the Li ion selectivity and recovery

Amir Razmjou et al.

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Graphene Oxide Membranes for Water Isotope Filtration: Insight at the Nano- and Microscale

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Mechanical strength of a nanoporous bicrystalline h-BN nanomembrane in a water submerged state

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

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Separation of perchlorates from aqueous solution using functionalized graphene oxide nanosheets: a computational study

Pariza Ansari et al.

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Molecular dynamics simulation of electric field driven water and heavy metals transport through fluorinated carbon nanotubes

Abbas Panahi et al.

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APPLIED SURFACE SCIENCE (2018)

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Polarizable Molecular Simulations Reveal How Silicon-Containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene

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DESALINATION (2017)

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Selective ion transport in functionalized carbon nanotubes

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