• Graphene oxide (GO) is an oxidised form of graphene that has attracted commercial interest in multiple applications, including inks, printed electronics and spray coatings, which all raise health concerns due to potential creation of inhalable aerosols. (springer.com)
  • Li and Na adsorption on graphene and graphene oxide examined by densit" by N. Dimakis, Isaiah Salas et al. (utrgv.edu)
  • Adsorption of Li and Na on pristine and defective graphene and graphene oxide (GO) is studied using density functional theory (DFT) structural and electronic calculations, quantum theory of atoms in molecules (QTAIM), and electron localization function (ELF) analyses. (utrgv.edu)
  • Graphene and graphene derivatives (e.g., graphene oxide (GO)) have been incorporated into hydrogels to improve the properties (e.g., mechanical strength) of conventional hydrogels and/or develop new functions (e.g., electrical conductivity and drug loading/delivery). (nature.com)
  • Functionalized carbon nanotube and graphene oxide embedded electrically conductive hydrogel synergistically stimulates nerve cell differentiation. (nature.com)
  • In this study, nylon-6,6 (N6,6)/graphene oxide (GO) nanofibers were developed and characterized. (ktun.edu.tr)
  • In this paper, a simple MD simulation using a Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) was developed to calculate the hydrogen uptake in ZSM5, Graphite Nanofiber, Graphene Oxide Framework, and reduced Graphene Oxide. (ui.ac.id)
  • Dependence of Precursor Graphite Flake Size on Nitrogen Doping in Graphene Oxide and Its Effect on OER Catalytic Activity. (go.jp)
  • Rapid and facile fabrication of conducting monolayer reduced graphene oxide films by methane plasma-assisted reduction. (go.jp)
  • Contribution of B,N-co-doped reduced graphene oxide as a catalyst support to the activity of iridium oxide for oxygen evolution reaction. (go.jp)
  • CNT and graphene oxide [11,12,13]. (cdc.gov)
  • A limited intercalation of oxygen under graphene is also probable. (lu.se)
  • Graphene is also an ideal model system for studying more fundamental aspects of undercover reactions, such as the coexistence of different molecules undercover or their intercalation kinetics. (lu.se)
  • Specifically, we use graphene to investigate the coexistence of hydrogen and CO with already intercalated oxygen while following the intercalation process in situ with APXPS. (lu.se)
  • It is an important circumstance that adsorption and desorption make it possible to obtain desired characteristics using adsorbed atoms and molecules. (researchgate.net)
  • This indicates that Mg-porphyrin acts as an adsorption site for NO 2 molecules. (rsc.org)
  • In particular, dissociative adsorption processes of H 2 molecules above graphene surfaces have been investigated by ab initio molecular dynamics. (techscience.com)
  • Adsorption of dye molecules on different positions of the B3O3 nanosheet leads to the. (researchgate.net)
  • The effect of structural defects on graphene interaction with other molecules is of high interest. (civilica.com)
  • In this study, the interaction of ethylene molecules with pristine graphene (PG) and defective graphenes including single (SVG) and double (DVG) vacancies, were investigated using dispersion-corrected periodic density functional theory (DFT). (civilica.com)
  • Moreover, graphene can be used as an adsorption template for studying reactions between adsorbates and gas phase molecules. (lu.se)
  • Here, we show that monolayer-graphene single microelectrodes harvesting charge from continuous aqueous flow provide an effective flow sensing strategy that delivers key performance metrics orders of magnitude higher than other electrical approaches. (nature.com)
  • The flow transduction of the devices is based on a single microelectrode of monolayer graphene that harvests charge from flowing blood through contact electrification without the need for an external current supply. (nature.com)
  • The monolayer graphene was prepared via chemical vapor deposition (CVD) and transferred to the chip through a low-contamination electrolysis method 13 . (nature.com)
  • The effect of atomic oxygen adsorption on the structure and electronic properties of monolayer graphite (MG or graphene) grown on Pt(111) and Ir(111) has been studied using X-ray photoelectron spectroscopy, near-edge X-ray absorption fine structure spectroscopy, and scanning tunneling microscopy. (lu.se)
  • The adsorption behavior and the mechanism of a CO 2 /CH 4 mixture in shale organic matter play significant roles to predict the carbon dioxide sequestration with enhanced gas recovery (CS-EGR) in shale reservoirs. (mdpi.com)
  • In this research, the adsorption behavior of pristine, Si- and Ga- and Al-doped graphene is investigated toward ethionamide (EA) using Density Functional Theory (DFT) calculations. (magiran.com)
  • Most Graphene growth recipes by chemical vapor deposition (CVD) on copper in a reactive CH 4 /H 2 atmosphere are results of parameter variations optimized by trial and error. (dpg-verhandlungen.de)
  • We used the chemical vapor deposition technique to obtain the large-area few-layer graphene films. (researchgate.net)
  • Graphene is a two-dimensional (2D) material composed of a single layer of sp 2 -hybridised carbon atoms, whose properties were characterised in 2004 after isolation from graphite (Novoselov et al. (springer.com)
  • For Cu/H-graphene/Cu with double-sided hydrogenated graphene (Cu/DH-graphene/Cu), the hydrogen atoms between graphene and Cu layers provide additional thermal transport channels. (asme.org)
  • While for Cu/H-graphene/Cu with single-sided hydrogenated graphene (Cu/SH-graphene/Cu), the hydrogen atoms not only provide additional thermal transport channels at the hydrogenated side of graphene, but also reduce the equilibrium separation between graphene and Cu layers at the non-hydrogenated side of graphene due to the transfer of massive electrons, which enhances the interface coupling between graphene and Cu layers. (asme.org)
  • The present results indicate that a steric graphene surface plays an important role in enhancing the charge transfer which induces dissociation of H 2 and adsorption of H atoms on the surface. (techscience.com)
  • As a result, the pores of the graphene mesh become attracted and effectively pinned to the substrate by the 0 atoms. (lu.se)
  • As an extreme example, all atoms in the 2D material graphene are surface atoms. (lu.se)
  • This paper investigates the adsorption of carbon adatoms on graphene and its nanoribbons using first-principles plane wave calculations within density functional theory. (bilkent.edu.tr)
  • DFT calculations show that Li and Na adsorptions on pristine graphene are not stable at all metal coverages examined here. (utrgv.edu)
  • Electronic calculations show that Liâ€" and Naâ€"graphene interactions are Coulombic: as Li and Na coverages increase, the metal valences partially hybridize with the graphene bands and weaken metalâ€"graphene support interactions. (utrgv.edu)
  • However, for Li adsorption on single vacancy graphene, QTAIM, ELF, and overlap populations calculations show that the Li-C bond has some covalent character. (utrgv.edu)
  • Ab initio density functional calculations on different graphene-based systems are used to assess and formulate strategies for enhancing the adsorptive capacity of carbon The group is also looking at spintronics to control properties such as magnetoresistance and exploring new aspects of magnetism at nanoscale such as spin spirals. (wikipedia.org)
  • DFT calculations were performed to obtain Gibbs free energy of adsorption as a function of H coverage, and electron density as a proxy for adsorption energy. (synopsys.com)
  • We conducted the calculations in the ethylene-graphene equilibrium distance where vdW interaction as a long-range interaction was dominant. (civilica.com)
  • GO is obtained by reaction of the graphene with strong oxidants and was characterized using Fourier-transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). (ktun.edu.tr)
  • With the introduction of NO 2 in the ppb concentration region, the FETs of pristine graphene and Ni-, Cu-, and Co-porphyrin-modified graphene showed an insufficient response, whereas the Mg-porphyrin-modified graphene exhibited large voltage shifts in the transport characteristics. (rsc.org)
  • The objectives of this DFT study are to consider the adsorption properties of the 4-[2-[4-(dimethylamino) phenyl] diazenyl]-benzoic acid (p-methyl red) dye molecule on the pristine B3O3 semiconducting layer for potential application in dye-sensitized solar cells. (researchgate.net)
  • In this work, novel in situ and in silico techniques are employed to achieve an atomic-level characterization of the graphene adsorption height above liquid Cu, reaching quantitative agreement within 0.1 Å between experiment and theory. (lmcat.eu)
  • The underlying principles of adsorption and membrane processes, the fabrication and characterization of novel composites, and surface functionalization related selectivity to environmental implementations will be the emphasis of this Special Issue. (hindawi.com)
  • N6,6/GO a exhibited high adsorption capacity for Cr (VI) at pH 2.0. (ktun.edu.tr)
  • The high adsorption probability of atomic hydrogen on metal surfaces puzzled scientist for a long time. (uni-goettingen.de)
  • We could show that a large amount of translational energy is transferred to electronic excitations of the solid, explaining the high adsorption probabilities. (uni-goettingen.de)
  • Unique molecular interactions between graphene derivatives and various small or macromolecules enable the fabrication of various functional hydrogels appropriate for different biomedical applications. (nature.com)
  • In the present work, the adsorption performance and the mechanism of a CO 2 /CH 4 binary mixture in realistic shale kerogen were explored by employing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. (mdpi.com)
  • This book covers theoretical aspects of adsorption, followed by an introduction to molecular simulations and other numerical techniques that have become extremely useful as an engineering tool in recent times to understand the interplay of different mechanistic steps of adsorption. (routledge.com)
  • 1. Theory, Molecular/Mesoscopic Simulations, and Experimental Techniques of Aqueous Phase Adsorption. (routledge.com)
  • 2. Graphene Nanopores-Based Separation of Impurities from Aqueous Medium: An insight from molecular simulation. (routledge.com)
  • Electronic and magnetic properties of hydrogen passivated armchair and zigzag nanoribbons show strong dependence on the adsorption site. (bilkent.edu.tr)
  • Here, we show self-powered graphene microdevices that transduce in real time the flow of continuous blood in a microfluidic channel to charge-transfer current in response to the flow-sensory rearrangement (not formation/deformation) of EDL at the graphene-aqueous interface. (nature.com)
  • 3. Atomistic and Experimental Modeling for Adsorption of Metal Ions With Carbon Nanotubes in Aqueous Environment. (routledge.com)
  • For comparison, the adsorption of atomic oxygen on highly oriented pyrolytic graphite has been studied under the same conditions. (lu.se)
  • Graphene oxidation predominantly occurs through the formation of epoxy groups and causes atomic-scale buckling of the graphene lattice, as evidenced by an sp(2)-to-sp(3) bonding transformation. (lu.se)
  • Separation methods such as the adsorption process are rapidly being used to address various elements of current environmental challenges, both economically and environmentally. (hindawi.com)
  • The batch adsorption model for Cr (VI) adsorption was applied as a function of time, initial Cr (VI) concentration, adsorbent dosage, and pH to examine nanofiber activity. (ktun.edu.tr)
  • Facile synthesis of carbon nanotubes and cellulose nanofiber incorporated graphene aerogels for selective organic dye adsorption. (go.jp)
  • Thanks to the inert character of graphene, we can discern the dissociation due to the interaction with the electron beam from any surface- induced dissociation processes. (lu.se)
  • In-depth survey report: engineering controls for nano-scale graphene platelets during manufacturing and handling processes. (cdc.gov)
  • Defective graphene is associated with the presence of band gaps and, thus, Li and Na adsorptions can be used to tune these gaps. (utrgv.edu)
  • When the equilibrium data were examined, it was concluded that Langmuir adsorption isotherm was more suitable. (ktun.edu.tr)
  • An analysis of the Dirac-point voltage shifts with the introduction of NO 2 indicates that the shifts were well-fitted with the Langmuir adsorption isotherm model, and the limit of detection for NO 2 was found to be 0.3 ppb in N 2 . (rsc.org)
  • The maximum adsorption capacity for Cr (VI) ion was found to be 47.17 mg/g of N6.6/GO using the related isotherm curves and equations. (ktun.edu.tr)
  • Currently, we study a new electron assisted growth technique and until now we studied stacked graphene (Gr) / hexagonal boron nitride (h-BN) heterostructures using a wide range of electron-based techniques (STM, LEED, ARPES, XPS, LEEM). (lu.se)
  • However, the presence of defects on graphene support stabilizes both Li and Na adsorptions. (utrgv.edu)
  • 2. give an account for and apply the real space as well as the reciprocal space nomenclature used to describe surfaces and the adsorption on surfaces. (lu.se)
  • the description of surface structures, adsorption at surfaces, and alloys. (lu.se)
  • This Special Issue seeks contributions of the composite materials in water and wastewater treatment through applying both adsorption and membrane technology. (hindawi.com)
  • It is when the colloidal materials and organic macromolecules deposit on the surface of the membrane and cause irreversible adsorption, cake formation and organic biofilm that makes the surface unable to filter. (ampac1.com)
  • In the case of ethylene adsorption on the graphene structures studied here, the mentioned critical distances follow the order SVG (civilica.com)
  • Upon 0 adsorption, the nearest C neighbors of epoxy groups get engaged in a stronger bonding with the substrate. (lu.se)
  • As a substrate, graphene provides an inert base for studying growth mechanisms. (lu.se)
  • Systematic variation of the CVD parameters provides the experimental data used to formulate a kinetic model which predicts the graphene growth velocity as function of the chosen mass action constant Q. Determining experimentally the thermodynamic equilibrium of the CH 4 decomposition reaction enables us to use the equilibrium as reference point to which any chosen CVD parameter set can be related quantitatively. (dpg-verhandlungen.de)
  • Two-dimensional nanoporous graphene (NPG) with uniformly distributed nanopores has been synthesized recently and shown remarkable electronic, mechanical, thermal, and optical properties with potential applications in several fields. (acs.org)
  • His research interests are the development of carbon-based materials, especially carbon nanofibers and nanoparticles in adsorption, catalytic reactions, biomedical, drug delivery, sensors, microbial fuel cells and agricultural applications. (routledge.com)
  • Annealing of the samples after oxygen exposure only partially recovers the original graphene structure and results in the formation of a dense pattern of quasi-periodic, nanometer-sized holes. (lu.se)
  • The aluminium-carbon interaction in two core-shell systems (Al22 nanoparticle coated with graphene nanoflake and Al@C60 metallofullerene) is investigated within the density functional theory. (lettersonmaterials.com)
  • In this work, the interfacial thermal conductance across Cu/graphene/Cu interfaces is investigated using the density functional theory (DFT) and the nonequilibrium Green's function (NEGF) method. (asme.org)
  • The adsorption and storage properties of the chalcogenide H 2 S gas by pentagonal B 2 C nanosheet (penta‐B 2 C) have been explored utilizing periodic density functional theory. (researchgate.net)
  • Furthermore, we can also predict the growth rate of single graphene flakes formed during any CVD experiment on copper at high precision. (dpg-verhandlungen.de)
  • 8. Abiotic Removal with Adsorption and Photocatalytic Reaction. (routledge.com)
  • We show that graphene acts as a catalyst for water formation by providing the required adsorption configuration that promotes the reaction. (lu.se)
  • Dr. Singh 's current research interest is in material modeling, self assembly, energy storage, wetting transition, nanotribology and selective adsorption. (routledge.com)
  • In conclusion, the results of the Mg-porphyrin-modified graphene FETs enable a rapid, easy, and selective detectability. (rsc.org)
  • It was found that there is a critical distance from the graphene surface, where the nature of adsorption of adsorbate molecule changes from physisorption to the possible chemisorption depending on the energetical costly distortion induced in adsorbate molecule. (civilica.com)
  • This thesis addresses how graphene can be a valuable asset for surface science studies. (lu.se)
  • Altogether this thesis provides several examples of how graphene can be integrated into surface science studies and paves the way for its implementation in the surface science field. (lu.se)
  • Measurement of airborne nanoparticle surface area using a filter-based gas adsorption method for inhalation toxicology experiments. (cdc.gov)
  • Measuring surface area of airborne titanium dioxide powder agglomerates: relationships between gas adsorption, diffusion and mobility-based methods. (cdc.gov)
  • The introduction is followed by a basic discussion of surface structure, adsorption, surface reactions, and crystal growth. (lu.se)
  • The simulated results also show that the adsorption capacities of CO 2 /CH 4 increase with the maturity level of kerogen. (mdpi.com)
  • We also predict a new type of carbon impurity defect in graphene, which has a small formation energy. (bilkent.edu.tr)
  • Both adsorption and deformation energies were calculated to examine the possibility of ethylene chemisorption. (civilica.com)
  • Graphene, the first truly 2D material to be isolated, is host to a wealth of remarkable properties. (ubc.ca)
  • Fujitsu used QuantumATK to investigate properties of NH₄-adsorbed armchair graphene nanoribbon (AGNRs) and feasibility of AGNRs as a gas sensor. (synopsys.com)
  • Mg-, Ni-, Cu-, and Co-porphyrins were deposited on the graphene FETs, and the transfer characteristics were measured. (rsc.org)
  • The Li and Na clusters may contain both covalent and metallic intra metalâ€"metal bonds: This effect is related to the adsorption support selection. (utrgv.edu)
  • He has also developed lattice Boltzmann method-based mathematical models for adsorption and flow systems. (routledge.com)
  • Graphene can also be employed as a confining agent to study undercover reactions, a trending topic in the catalysis field due to the reported higher performance of catalysts when placed in confined environments. (lu.se)
  • In this study, we fabricated metalloporphyrin-modified graphene field-effect transistors (FETs). (rsc.org)
  • In order to study how hydrogenation of graphene affects thermal transport behaviors at the interfaces of Cu/graphene/Cu, we also analyze the interfacial thermal conductance across Cu/hydrogenated-graphene/Cu (Cu/H-graphene/Cu) with both double-sided and single-sided hydrogenated graphene. (asme.org)
  • DFT simulations were performed to study how electronic structure changes due to adsorption. (synopsys.com)
  • The different parts of the graphene/metal moire superstructure show different oxidation dynamics, with the initial formation of. (lu.se)
  • We use graphene to investigate copper oxidation undercover, revealing that its presence stabilizes a Cu 2 O phase undercover, delaying the evolution toward complete oxidation (CuO). (lu.se)
  • This finding paves the way for future research using graphene as an adsorption template for fundamental catalysis studies. (lu.se)