Bibliographies thématiques / Graphene Structure

Littérature scientifique sur le sujet « Graphene Structure »

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Publié le 7 septembre 2023

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Articles de revues sur le sujet "Graphene Structure"

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Woellner, Cristiano Francisco, Pedro Alves da Silva Autreto et Douglas S. Galvao. « One Side-Graphene Hydrogenation (Graphone) : Substrate Effects ». MRS Advances 1, no 20 (2016) : 1429–34. http://dx.doi.org/10.1557/adv.2016.196.

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ABSTRACTRecent studies on graphene hydrogenation processes showed that hydrogenation occurs via island growing domains, however how the substrate can affect the hydrogenation dynamics and/or pattern formation has not been yet properly investigated. In this work we have addressed these issues through fully atomistic reactive molecular dynamics simulations. We investigated the structural and dynamical aspects of the hydrogenation of graphene membranes (one-side hydrogenation, the so called graphone structure) on different substrates (graphene, few-layers graphene, graphite and platinum). Our results also show that the observed hydrogenation rates are very sensitive to the substrate type. For all investigated cases, the largest fraction of hydrogenated carbon atoms was for platinum substrates. Our results also show that a significant number of randomly distributed H clusters are formed during the early stages of the hydrogenation process, regardless of the type of substrate. These results suggest that, similarly to graphane formation, large perfect graphone-like domains are unlikely to be formed. These findings are especially important since experiments have showed that cluster formation influences the electronic transport properties in hydrogenated graphene.
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Murav’ev, V. V., et V. M. Mishchenka. « Ab-initio simulation of hydrogenated graphene properties ». Doklady BGUIR 19, no 8 (1 janvier 2022) : 5–9. http://dx.doi.org/10.35596/1729-7648-2021-19-8-5-9.

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Ab-initio simulation of hydrogenated graphene properties was performed. At present, graphene is considered one of the most promising materials for the formation of new semiconductor devices with good characteristics. Graphene has been the subject of many recent investigations due to its peculiar transport, mechanical and others properties [1]. The chemical modification of graphene named as graphane has recently entered the investigation as a possible candidate to solve problems connected with the lack of a graphene bandgap. Graphane is a compound material consisting of two-dimensional graphene bonded by some atoms of hydrogen. The investigation shows that graphane has the three valley Г-М-K band structure with the Г valley, which has the smallest energy gap between the conductivity zone and the valence zone. The calculation of relative electron masses and non-parabolic coefficients in Г, М and K valleys was performed. Based on the obtained characteristics, it is possible to implement a statistical multi-particle Monte Carlo method to determine the characteristics of electron transfer in heterostructure semiconductor devices. A research on modified graphene structures is important for fundamental science and technological applications in high-speed transistor structures operating in the microwave and very high frequency ranges.
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Qu, Li-Hua, Xiao-Long Fu, Chong-Gui Zhong, Peng-Xia Zhou et Jian-Min Zhang. « Equibiaxial Strained Oxygen Adsorption on Pristine Graphene, Nitrogen/Boron Doped Graphene, and Defected Graphene ». Materials 13, no 21 (4 novembre 2020) : 4945. http://dx.doi.org/10.3390/ma13214945.

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We report first-principles calculations on the structural, mechanical, and electronic properties of O2 molecule adsorption on different graphenes (including pristine graphene (G–O2), N(nitrogen)/B(boron)-doped graphene (G–N/B–O2), and defective graphene (G–D–O2)) under equibiaxial strain. Our calculation results reveal that G–D–O2 possesses the highest binding energy, indicating that it owns the highest stability. Moreover, the stabilities of the four structures are enhanced enormously by the compressive strain larger than 2%. In addition, the band gaps of G–O2 and G–D–O2 exhibit direct and indirect transitions. Our work aims to control the graphene-based structure and electronic properties via strain engineering, which will provide implications for the application of new elastic semiconductor devices.
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Lee, Ji, Sung Kwon, Soonchul Kwon, Min Cho, Kwang Kim, Tae Han et Seung Lee. « Tunable Electronic Properties of Nitrogen and Sulfur Doped Graphene : Density Functional Theory Approach ». Nanomaterials 9, no 2 (15 février 2019) : 268. http://dx.doi.org/10.3390/nano9020268.

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We calculated the band structures of a variety of N- and S-doped graphenes in order to understand the effects of the N and S dopants on the graphene electronic structure using density functional theory (DFT). Band-structure analysis revealed energy band upshifting above the Fermi level compared to pristine graphene following doping with three nitrogen atoms around a mono-vacancy defect, which corresponds to p-type nature. On the other hand, the energy bands were increasingly shifted downward below the Fermi level with increasing numbers of S atoms in N/S-co-doped graphene, which results in n-type behavior. Hence, modulating the structure of graphene through N- and S-doping schemes results in the switching of “p-type” to “n-type” behavior with increasing S concentration. Mulliken population analysis indicates that the N atom doped near a mono-vacancy is negatively charged due to its higher electronegativity compared to C, whereas the S atom doped near a mono-vacancy is positively charged due to its similar electronegativity to C and its additional valence electrons. As a result, doping with N and S significantly influences the unique electronic properties of graphene. Due to their tunable band-structure properties, the resulting N- and S-doped graphenes can be used in energy and electronic-device applications. In conclusion, we expect that doping with N and S will lead to new pathways for tailoring and enhancing the electronic properties of graphene at the atomic level.
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Liu, Li, et Chang Chun Zhou. « Preparation and Application of Grapheme ». Applied Mechanics and Materials 670-671 (octobre 2014) : 127–29. http://dx.doi.org/10.4028/www.scientific.net/amm.670-671.127.

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Graphene is a kind of new carbon material with isomer. Its basic structure is composed of six carbon atoms in closed loop structure. In order to make graphene with excellent properties in practical application, people have proposed various methods of preparing grapheme. Graphene shows promising applications in solar cell. This paper introduced preparation and applications of graphene in the high-tech fields.
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Rozhkov, M. A., A. L. Kolesnikova, I. Hussainova, M. A. Kaliteevskii, T. S. Orlova, Yu Yu Smirnov, I. S. Yasnikov, L. V. Zhigilei, V. E. Bougrov et A. E. Romanov. « Evolution of Dirac Cone in Disclinated Graphene ». REVIEWS ON ADVANCED MATERIALS SCIENCE 57, no 2 (1 juillet 2018) : 137–42. http://dx.doi.org/10.1515/rams-2018-0057.

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Abstract Graphene crystals, containing arrays of disclination defects, are modeled and their energies are calculated using molecular dynamics (MD) simulation technique. Two cases are analyzed in details: (i) pseudo-graphenes, which contain the alternating sign disclination ensembles and (ii) graphene with periodic distribution of disclination quadrupoles. Electronic band structures of disclinated graphene crystals are calculated in the framework of density functional theory (DFT) approach. The evolution of the Dirac cone and magnitude of band gap in the band structure reveal a dependence on the density of disclination quadrupoles and alternating sign disclinations. The electronic properties of graphene with disclination ensembles are discussed.
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Colmiais, Ivo, Vitor Silva, Jérôme Borme, Pedro Alpuim et Paulo M. Mendes. « Extraction of Graphene’s RF Impedance through Thru-Reflect-Line Calibration ». Micromachines 14, no 1 (14 janvier 2023) : 215. http://dx.doi.org/10.3390/mi14010215.

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Graphene has unique properties that can be exploited for radiofrequency applications. Its characterization is key for the development of new graphene devices, circuits, and systems. Due to the two-dimensional nature of graphene, there are challenges in the methodology to extract relevant characteristics that are necessary for device design. In this work, the Thru-Reflect-Line (TRL) calibration was evaluated as a solution to extract graphene’s electrical characteristics from 1 GHz to 65 GHz, where the calibration structures’ requirements were analyzed. It was demonstrated that thick metallic contacts, a low-loss substrate, and a short and thin contact are necessary to characterize graphene. Furthermore, since graphene’s properties are dependent on the polarization voltage applied, a backgate has to be included so that graphene can be characterized for different chemical potentials. Such characterization is mandatory for the design of graphene RF electronics and can be used to extract characteristics such as graphene’s resistance, quantum capacitance, and kinetic inductance. Finally, the proposed structure was characterized, and graphene’s resistance and quantum capacitance were extracted.
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Wang, Xuan Lun, et Wei Jiu Huang. « Fabrication and Characterization of Graphene/Polyimide Nanocomposites ». Advanced Materials Research 785-786 (septembre 2013) : 138–44. http://dx.doi.org/10.4028/www.scientific.net/amr.785-786.138.

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Graphene/polyimide nanocomposites with different weight loadings were prepared by a solution compounding technique. Graphene was synthesized from graphite oxide that was fabricated by the Hummers method. X-ray diffraction (XRD), ultraviolet visible (UV-vis) spectra and simultaneous thermal analysis were used for the microstructure analysis of the graphenes. Graphenes with single layer structure were synthesized successfully and had good solubility in water or other polar solvents due to a few functional groups on the graphene carbons. Graphenes have good thermal stability. Mechanical and tribological properties were studied for the graphene/polyimide composites. The composites have excellent strength and toughness with very small graphene loading level and the addition of graphene decreased the friction coefficient and wear rate of the composites.
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RAO, C. N. R., K. S. SUBRAHMANYAM, H. S. S. RAMAKRISHNA MATTE et A. GOVINDARAJ. « GRAPHENE : SYNTHESIS, FUNCTIONALIZATION AND PROPERTIES ». Modern Physics Letters B 25, no 07 (20 mars 2011) : 427–51. http://dx.doi.org/10.1142/s0217984911025961.

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Graphenes with varying number of layers can be synthesized by different strategies. Thus, single-layer graphene is obtained by the reduction of single layer graphene oxide, CVD and other methods besides micromechanical cleavage. Few-layer graphenes are prepared by the conversion of nanodiamond, arc-discharge of graphite and other means. We briefly present the various methods of synthesis and the nature of graphenes obtained. We then discuss the various properties of graphenes. The remarkable property of graphene of quenching fluorescence of aromatic molecules is shown to be associated with photo-induced electron transfer, on the basis of fluorescence decay and time-resolved transient absorption spectroscopic measurements. The interaction of electron donor and acceptor molecules with few-layer graphene samples has been discussed. Decoration of metal nano-particles on graphene sheets and the resulting changes in electronic structure are examined. Few-layer graphenes exhibit ferromagnetic features along with antiferromagnetic properties, independent of the method of preparation. Graphene-like MoS 2 and WS 2 have been prepared by chemical methods, and the materials are characterized by electron microscopy, atomic force microscopy (AFM) and other methods. Boron nitride analogues of graphene have been obtained by a simple chemical procedure starting with boric acid and urea and have been characterized by various techniques.
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RAO, C. N. R., K. S. SUBRAHMANYAM, H. S. S. RAMAKRISHNA MATTE, URMIMALA MAITRA, KOTA MOSES et A. GOVINDARAJ. « GRAPHENE : SYNTHESIS, FUNCTIONALIZATION AND PROPERTIES ». International Journal of Modern Physics B 25, no 30 (10 décembre 2011) : 4107–43. http://dx.doi.org/10.1142/s0217979211059358.

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Graphenes with varying number of layers can be synthesized by different strategies. Thus, single-layer graphene is obtained by the reduction of single layer graphene oxide, CVD and other methods besides micromechanical cleavage. Few-layer graphenes are prepared by the conversion of nanodiamond, arcdischarge of graphite and other means. We briefly present the various methods of synthesis and the nature of graphenes obtained. We then discuss the various properties of graphenes. The remarkable property of graphene of quenching fluorescence of aromatic molecules is shown to be associated with photo-induced electron transfer, on the basis of fluorescence decay and time-resolved transient absorption spectroscopic measurements. The interaction of electron donor and acceptor molecules with few-layer graphene samples has been discussed. Decoration of metal nano-particles on graphene sheets and the resulting changes in electronic structure are examined. Few-layer graphenes exhibit ferromagnetic features along with antiferromagnetic properties, independent of the method of preparation. Graphene-like MoS 2 and WS 2 have been prepared by chemical methods, and the materials are characterized by electron microscopy, atomic force microscopy (AFM) and other methods. Boron nitride analogues of graphene have been obtained by a simple chemical procedure starting with boric acid and urea and have been characterized by various techniques.
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Thèses sur le sujet "Graphene Structure"

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Nair, Rahul Raveendran. « Atomic structure and properties of graphene and novel graphene derivatives ». Thesis, University of Manchester, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.527419.

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Pierce, James Kevin. « Magnetic structure of chiral graphene nanoribbons ». Thesis, University of British Columbia, 2016. http://hdl.handle.net/2429/57782.

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We study the magnetic structure of narrow graphene ribbons with patterned edges. Neglecting interactions, a broad class of edge terminations support zero-energy states localized at the edges of the ribbon. For the simplest (zigzag) ribbon supporting these edge states, electron-electron interactions have been shown to induce ferromagnetic ordering along the edges of the ribbon. We generalize this argument for such a magnetic edge state to carbon ribbons with more complex chiral edge terminations.
Science, Faculty of
Physics and Astronomy, Department of
Graduate
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Pradhan, Siddharth. « Quantification of Graphene Oxide Structure Using an Improved Model ». University of Cincinnati / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1342730902.

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Wang, Jun, et 王俊. « Optical properties of graphene/GaN hybrid structure ». Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2014. http://hdl.handle.net/10722/206660.

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Optical properties of graphene/GaN hybrid structure were investigated by using a variety of optical spectroscopy techniques including low-temperature photoluminescence (PL) spectroscopy, time-resolved PL (TRPL) spectroscopy, confocal scanning micro-Raman spectroscopy. Single-layer graphene grown by chemical vapor deposition was transferred to GaN epilayer surface, which is verified by the Raman spectrum with a sharp characteristic peak at ~2690 cm-1and a homogeneous Raman image. Three main band-edge emissions including the free exciton A transition (denoted as FXA), the donor bound exciton transition (denoted as DX) and the third peak (denoted as Ix) were well resolved in the PL spectra of the hybrid structure as well as the as-grown GaN epilayer at low temperatures. Interestingly, the FXA transition and Ix line of the GaN epilayer were found to be dramatically altered by the top graphene layer while the DX is almost unaffected. The intensity of Ix line substantially drops after the transfer of graphene layer on GaN, indicating surface defect nature of the Ix line. More interestingly, an unpredictable dip structure develops in the FXA peak when the temperature is beyond 50 K. Similar spectral structure change also occurred in the emission of free exciton B (referred as FXB)with higher transition energy .A free exciton dissociation and electron transfer model was proposed to explain the “dip effect”. More supporting evidence to the model was found in the time-resolved PL spectra of the hybrid structure and the control sample. The results showed the significant influence of graphene monolayer on the fundamental optical properties of GaN.
published_or_final_version
Physics
Master
Master of Philosophy
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Pandey, Priyanka A. « Structure and applications of chemically modified graphene ». Thesis, University of Warwick, 2012. http://wrap.warwick.ac.uk/55111/.

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Owing to its extraordinary electrical, optical, and mechanical properties, graphene has emerged as a promising material for a variety of applications in the future. However, not all these applications will be able to employ or require pristine graphene; hence several alternative methods have developed for the mass production of graphene and related materials. Graphene oxide (GO), a material closely related to graphene, allows engineering of its chemical composition by means of chemical, thermal, and electrochemical methods. This provides an opportunity to tune physical and chemical properties of graphene. This work reports on investigations of the structure of chemically modified graphenes (CMGs) derived from GO, interactions of metals and organic thin films with CMG, and application of metal-CMG as a hydrogen gas sensor. GO was fabricated by a modified Hummers method. GO, being insulating, was reduced by hydrazine and thermal annealing to produce reduced graphene oxide (rGO). The CMG sheets were deposited on TEM grids and on Si/SiO2 substrates for characterization by atomic force microscopy, transmission electron microscopy (TEM), xray photoelectron spectroscopy, and Raman spectroscopy. The structural analysis of GO performed by TEM revealed that in GO, on average, the underlying carbon lattice maintains the symmetry and lattice-spacings of graphene. Compositional analysis disclosed that the as-produced GO is actually made of oxidized graphene like sheets strongly attached with oxidative debris that make the as produced GO hydrophilic and insulating. In the TEM, both GO and reduced GO (rGO) were nearly transparent and stable under the electron beam and hence they made excellent supports to study the growth of thin organic and metal films deposited by physical vapour deposition. The study revealed the interactions of organic molecules, fluorinated copper phthalocyanine, with CMG and packing of the molecules in the crystal structure. Film-thicknesses from sub-monolayer to tens of monolayers were analysed. In the study of metal thin film growth, the factors determining the growth and morphology of different metals-on-CMG were studied. Fine control over the size and coverage of nanoparticles were achieved. This control was used to combine Pd nanoparticles and rGO to design selective, highly sensitive, and practical hydrogen gas sensor.
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Thomas, Helen R. « The structure and reactivity of graphene oxide ». Thesis, University of Warwick, 2015. http://wrap.warwick.ac.uk/74090/.

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Graphene oxide (GO) can provide a cost-effective route to a graphene-like material on an industrial scale, but produces an imperfect product. In order to improve the quality of the resultant graphene, unanswered questions regarding the structure and chemical reactivity of GO need to be addressed. In this thesis, chapters 1 and 2 serve to introduce the field of graphene and graphene oxide research, as well as standard characterisation techniques. Chapter 3 is concerned with investigating the validity and general applicability of a recently proposed two-component model of GO – the formation of the two components was shown to be largely independent of the oxidation protocol used in the synthesis, and additional characterisation data was presented for both base-washed graphene oxide (bwGO) and oxidation debris (OD). The removal of the OD cleans the GO, revealing its true mono-layer nature and in the process increases the C:O ratio, i.e. a deoxygenation. By contrast, treating GO with hydrazine was found to both remove the debris and reduce (cleaning and deoxygenation) the graphene-like sheets. In chapter 4, different nucleophiles were used to explore bwGO functionalisation via epoxy ring-opening reactions. Treatment of bwGO with potassium thioacetate, followed by an aqueous work-up, was shown to yield a new thiol functionalised material (GO-SH). As far as is known, this was the first reported example of using a sulfur nucleophile to ring open epoxy groups on GO. The incorporation of malononitrile groups, and the direct grafting of polymer chains to the graphene-like sheets was also demonstrated. The thiol groups on GO-SH are amendable to further chemistry and in chapter 5 this reactivity is exploited with alkylation, thiol-ene click and sultone ring-opening reactions. Au(I) and Pd(II) metallo-organic complexes were also prepared, and gold deposition experiments were carried out, demonstrating that GO-SH has a strong affinity for AuNPs. These CMGs have varying solubility and improved thermal stability. Chapter 6 concludes the work covered in this thesis, and full experimental details can be found in chapter 7.
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Plachinda, Pavel. « Electronic Properties and Structure of Functionalized Graphene ». PDXScholar, 2012. https://pdxscholar.library.pdx.edu/open_access_etds/585.

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The trend over the last 50 years of down-scaling the silicon transistor to achieve faster computations has led to doubling of the number of transistors and computation speed over about every two years. However, this trend cannot be maintained due to the fundamental limitations of silicon as the main material for the semiconducting industry. Therefore, there is an active search for exploration of alternate materials. Among the possible candidates that can may [sic] be able to replace silicon is graphene which has recently gained the most attention. Unique properties of graphene include exceedingly high carrier mobility, tunable band gap, huge optical density of a monolayer, anomalous quantum Hall effect, and many others. To be suitable for microelectronic applications the material should be semiconductive, i.e. have a non-zero band gap. Pristine graphene is a semimetal, but by the virtue of doping the graphene surface with different molecules and radicals a band gap can be opened. Because the electronic properties of all materials are intimately related to their atomic structure, characterization of molecular and electronic structure of functionalizing groups is of high interest. The ab-inito (from the first principles) calculations provide a unique opportunity to study the influence of the dopants and thus allow exploration of the physical phenomena in functionalized graphene structures. This ability paves the road to probe the properties based on the intuitive structural information only. A great advantage of this approach lies in the opportunity for quick screening of various atomic structures. We conducted a series of ab-inito investigations of graphene functionalized with covalently and hapticly bound groups, and demonstrated possible practical usage of functionalized graphene for microelectronic and optical applications. This investigation showed that it is possible [to] produce band gaps in graphene (i.e., produce semiconducting graphene) of about 1 eV, without degrading the carrier mobility. This was archived by considering the influence of those adducts on electronic band structure and conductivity properties.
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Wang, Zi. « Electronic structure and quantum transport in disordered graphene ». Thesis, McGill University, 2011. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=104783.

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Graphene, a single sheet of graphite, has many interestingelectronic and mechanical properties, making it a viable candidate fortomorrow's electronics. It remains the most widely studied material in condensed matter physics as of2011. Due to various disorder effects, manyuseful properties of pristine graphene predicted by theory may notshow up in real world systems, and the exact effects of disorder on graphenenanoelectronics have not been investigated to any satisfaction.The research goal of this thesis is to provide first principles calculations to study disorder scattering in graphene nanostructures.We shall briefly review the basic concepts of electronicstructure theory of condensed matter physics, followed by a moredetailed discussion on density functional theory (DFT) which is themost widely applied atomistic theory of materials physics. We thenpresent the LMTO implementation of DFT specialized in calculatingsolid crystals. LMTO is computationally very efficient and isable to handle more than a few thousand atoms, while remaining reasonablyaccurate. These qualities make LMTO very useful for analysingquantum transport. We shall then discuss applying DFT within the Keldysh non-equilibrium Green's function formalism(NEGF) to handle non-equilibrium situations such as current flow. Finally, within NEGF-DFT, we shall use the coherentpotential approximation (CPA) and the non-equilibriumvertex correction (NVC) theory to carry out configurational disorder averaging. This theoretical framework is thenapplied to study quantum transport in graphene with atomisticdisorder. We shall investigate effects of substitutional boron (B)and nitrogen (N) doping in a graphene device connected to intrinsicgraphene electrodes. We have calculated quantum transport oftwo-probe graphene devices versus disorder concentration x, device length L, electron electron energy E, and our results suggest that doping greatlyaffects quantum transport properties by inducing significantdiffusive scattering.In particular, it is the first time inliterature that conductance versus doping concentration x isobtained from atomic first principles. Importantly, the NVC theoryallows us to directly determine the diffusive scatteringcontribution to the total conductance. Since B and Natoms are located on either side of carbon in the periodic table, avery interesting finding is that disorder scattering due to theseimpurities are mirrored almost perfectly on either side of the graphene Fermilevel. Such a behavior can be understood from the point of view ofcharge doping.
Le graphène, une seule feuille de graphite, a de nombreuse propriétés électroniques et mécaniques intéressantes, et ce qui en fait une solution viable pour l'électronique de demain. Il reste le matériau le plus largement étudié en physique de la matière condensée en 2011. En raison des effets du désordre, de nombreux propriétés utiles du graphène prédite par la théorie n'apparaissent pas dans les systèmes du monde réel, et les effets exacts du désordre dans le graphène n'ont pas été étudiées à toute satisfaction. L'objectif de cette thèse est de fournir une étude premiers principes de l'effet du désordre introduit dans des nanostructures de graphène. Nous allons passer brièvement en revue les concepts de base de la théorie électronique de la matière condensée, suivie par une discussion plus détaillée sur la théorie de la fonctionnelle de la densité (DFT) qui est la théorie atomique la plus couramment appliquée pour la physique matériaux. Nous allons ensuite présenter la méthode LMTO, des de la DFT, qui est spécialisée dans le calcul des cristaux solides. LMTO est mathématiquement très efficace et est en mesure de traiter plus de quelques milliers d'atomes, tout en restant raisonnablement précise. Ces qualités font que la méthode LMTO est très utile pour l'analyse du transport quantique. Nous discuterons ensuite l'application du DFT est dans le formalisme de la fonction non-équilibre de Green de Keldysh (NEGF) pour traiter les systèmes non-équilibre, tels que le courant de charge. Enfin, dans NEGF-DFT, nous allons utiliser l'approximation du potentiel cohérent (CPA) et la correction non-équilibre de vertex (NVC) afin d'appliquer la théorie de la moyenne du désordre de configuration. Ce cadre théorique est ensuite appliquée à l'étude du transport quantique dans le graphène avec du désordre atomique. Nous allons étudier les effets de la substitution du bore (B) et de l'azote (N) dans le graphène connecté aux électrodes de graphène pure. Nous avons calculé le transport quantique des dispositifs de graphène en fonction de la concentration du désordre x, longueur du dispositif L, l'énergie E, et nos résultats suggèrent que le dopage affecte grandement les propriétés de transport quantique en induisant diffusion de maniere significante. En particulier, ceci est la première fois que la conductance en fonction de la concentration du dopage x est obtenue à partir de théorie premiers principes atomiques. Il est important de noter que la théorie de la NVC nous permet de déterminer directement la contribution de la diffusion à la conductance totale. étant donné que les atomes B et N les atomes sont situés de chaque côté du carbone dans le tableau périodique, il est intéressant de constater que la diffusion du désordre due à ces impuretés apparait presque parfaitement de chaque côté du niveau de Fermi dans le graphène. Un tel comportement peut être compris du point de vue de la charge des dopants.
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Mohd, Halit Muhammad Khairulanwar Bin. « Processing, structure and properties of polyamide 6/graphene nanoplatelets nanocomposites ». Thesis, University of Manchester, 2018. https://www.research.manchester.ac.uk/portal/en/theses/processing-structure-and-properties-of-polyamide-6graphene-nanoplatelets-nanocomposites(e879fdef-d5d4-4797-a865-58b61cb257d1).html.

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Graphene Nanoplatelets (GNP) was incorporated into polyamide 6 (PA6) matrix by melt compounding method and the enhancements in the properties of the nanocomposites were studied. Response Surface Methodology (RSM) was employed to assist in the study of processing conditions in melt compounding. RSM analysis revealed that the GNP concentrations to be the most significant term to affect the tensile modulus and crystallinity followed by the screw speed whereas the residence time was found to be non-significant. GNP with 5 Î1⁄4m (G5) and 25 Î1⁄4m (G25) were used in the GNP aspect ratio study. The average flake size of G5 and G25 to was measured to be 5.07 Î1⁄4m and 22.0 Î1⁄4m, respectively with the G5 distributed narrowly whereas the G25 exhibit broad distribution. TGA analysis shown that HT25 is more thermally stable compared to G25 due to some remnants lost during thermal treatment and this was confirmed by EDX and CHNS analysis. XRD profiles of the PA6-G-NC illustrate typical peaks of PA6 crystals phase as well as pure graphite characteristic peak. PA6-G25-NC observed to exhibit slightly higher peak intensity compared to PA6-G5-NC suggesting more formation of PA6 crystals. Similar improvement was observed on PA6-HT25-NC compared to PA6-G25-NC indicating more formation of PA6 crystals due improved dispersion of HT25. DSC on PA6-G25-NC showed higher cooling temperature and crystallinity compared to PA6-G5-NC due to larger surface area of the G25. Similarly, PA6-HT25 showed better improvement in crystallinity over PA6-G25-NC due to increase nucleation sites by the HT25. The thermal conductivity of PA6-G25-NC is slightly higher than the thermal conductivity of PA6-G5-NC but not significant considering the G25 is 5 times larger than G5. Instead, no significant difference was observed between PA6-HT25-NC and PA6-G25-NC. Addition of GNP increased the thermal stability of the PA6-G-NC systems under both nitrogen and air atmospheres regardless of the GNP aspect ratio. The viscoelastic properties showed insignificant difference between PA6-G5-NC and PA6-G25-NC. The inefficient improvement by G25 might be due to agglomeration formed during processing. The storage modulus and tan Î ́ of PA6-HT25-NC decreased but the Tg significantly improved compared to PA6-G25-NC. This was assumed to be because of improved dispersion of HT25 but reduced interfacial interaction after the heat treatment. The shear storage modulus, G’ and complex viscosity, |η*| were observed to increase with increasing GNP content with more pronounced improvement seen on PA6-G25-NC compared to PA6-G5-NC. However, no network percolation threshold was observed until 20 wt.% of GNP. The poor interfacial interaction of HT25 resulted in lower G’ and |η*| compared to G25. Tensile test results showed typical improvement with PA6-G25-NC having higher tensile modulus compared to PA6-G5-NC. Further enhancement was obtained with PA6-HT25-NC suggesting improved dispersion and volume of constrained chains mobility despite the poor surface interaction. Comparison with Halphin-Tsai modulus revealed that the effective modulus to be 150 GPa for G5 and 200 GPa for G25. The water uptake measurement results showed that GNP reduced the water uptake percentage and diffusion coefficient especially with G25. The test conducted on saturated PA6-G-NC results in improved thermal conductivity due to the high thermal conductivity of water but the viscoelastic and tensile properties severely reduced due to plasticisation effect.
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Xian, Lede. « Electronic structure and interlayer coupling in twisted multilayer graphene ». Diss., Georgia Institute of Technology, 2014. http://hdl.handle.net/1853/51811.

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It has been shown recently that high-quality epitaxial graphene (EPG) can be grown on the SiC substrate that exhibits interesting physical properties and has great advantages for varies device applications. In particular, the multilayer graphene films grown on the C-face show rotational disorder. It is expected that the twisted layers exhibit unique new physics that is distinct from that of either single layer graphene or graphite. In this work, by combining density functional and tight-binding model calculations, we investigate the electric field and doping effects on twisted bilayer graphene (TBG), multiple layer effects on twisted triple-layer graphene, and wave packet propagation properties of TBG. Though these studies, we obtain a comprehensive description of the interesting interlayer interaction in this twisted multilayer graphene system.
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Livres sur le sujet "Graphene Structure"

1

Enoki, Toshiaki, C. N. R. Rao et Swapan K. Pati. Graphene and its fascinating attributes. New Jersey : World Scientific, 2011.

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Li, Yutao. Electronic and plasmonic band structure engineering of graphene using superlattices. [New York, N.Y.?] : [publisher not identified], 2021.

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Forsythe, Carlos. Fractal Hofstadter Band Structure in Patterned Dielectric Superlattice Graphene Systems. [New York, N.Y.?] : [publisher not identified], 2017.

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Wu, Xin. Influence of Particle Beam Irradiation on the Structure and Properties of Graphene. Singapore : Springer Singapore, 2018. http://dx.doi.org/10.1007/978-981-10-6457-9.

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A, Balandin Alexander, et Materials Research Society Meeting, dir. Functional two-dimensional layered materials, from graphene to topological insulators : Symposium held April 25-29, 2011, San Francisco, California, U.S.A. Warrendale, Pa : Materials Research Society, 2012.

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Thorpe, Yvonne. Graphing buildings and structures. Chicago, Ill : Heinemann Library, 2008.

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1946-, Zabel H., Solin S. A. 1942- et Hwang D. M, dir. Graphite intercalation compounds I : Structure and dynamics. Berlin : Springer-Verlag, 1990.

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United States. National Aeronautics and Space Administration. et United States. Army Aviation Systems Command., dir. Structure-to-property relationships in addition cured polymers. [Washington, DC] : National Aeronautics and Space Administration, 1992.

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Center, Lewis Research, et United States. Army Aviation Systems Command., dir. Structure-to-property relationships in addition cured polymers. Cleveland, Ohio : National Aeronautics and Space Administration, Lewis Research Center, 1986.

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Center, Lewis Research, et United States. Army Aviation Systems Command., dir. Structure-to-property relationships in addition cured polymers. Cleveland, Ohio : National Aeronautics and Space Administration, Lewis Research Center, 1986.

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Chapitres de livres sur le sujet "Graphene Structure"

1

Gao, Wei. « Synthesis, Structure, and Characterizations ». Dans Graphene Oxide, 1–28. Cham : Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15500-5_1.

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Young, Robert J. « Graphene and Graphene-Based Nanocomposites ». Dans Structure and Multiscale Mechanics of Carbon Nanomaterials, 75–98. Vienna : Springer Vienna, 2016. http://dx.doi.org/10.1007/978-3-7091-1887-0_4.

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Stewart, Derek A., et K. Andre Mkhoyan. « Graphene Oxide : Synthesis, Characterization, Electronic Structure, and Applications ». Dans Graphene Nanoelectronics, 435–64. Berlin, Heidelberg : Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-22984-8_14.

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Dimiev, Ayrat M. « Mechanism of Formation and Chemical Structure of Graphene Oxide ». Dans Graphene Oxide, 36–84. Chichester, UK : John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781119069447.ch2.

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Grushevskaya, H. V., et G. G. Krylov. « Electronic Structure and Transport in Graphene ». Dans Graphene Science Handbook, 117–32. Boca Raton, FL : CRC Press, Taylor & Francis Group, 2016. | “2016 : CRC Press, 2016. http://dx.doi.org/10.1201/b19642-9.

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Javad Azizli, Mohammad, Masoud Mokhtary, Mohammad Barghamadi et Katayoon Rezaeeparto. « Structure-Property Relationship of Graphene-Rubber Nanocomposite ». Dans Graphene-Rubber Nanocomposites, 141–76. Boca Raton : CRC Press, 2022. http://dx.doi.org/10.1201/9781003200444-6.

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Lam, Kai-Tak, et Gengchiau Liang. « Electronic Structure of Bilayer Graphene Nanoribbon and Its Device Application : A Computational Study ». Dans Graphene Nanoelectronics, 509–27. Berlin, Heidelberg : Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-22984-8_16.

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Zheng, Qingbin, et Jang-Kyo Kim. « Synthesis, Structure, and Properties of Graphene and Graphene Oxide ». Dans Graphene for Transparent Conductors, 29–94. New York, NY : Springer New York, 2015. http://dx.doi.org/10.1007/978-1-4939-2769-2_2.

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Kirane, Kedar, et Surita Bhatia. « Structure-Property Relationships for the Mechanical Behavior of Rubber-Graphene Nanocomposites ». Dans Graphene-Rubber Nanocomposites, 109–40. Boca Raton : CRC Press, 2022. http://dx.doi.org/10.1201/9781003200444-5.

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Hartmann, Markus A., Melanie Todt et F. G. Rammerstorfer. « Atomistic and continuum modelling of graphene and graphene-derived carbon nanostructures ». Dans Structure and Multiscale Mechanics of Carbon Nanomaterials, 135–79. Vienna : Springer Vienna, 2016. http://dx.doi.org/10.1007/978-3-7091-1887-0_6.

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Actes de conférences sur le sujet "Graphene Structure"

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Shuvo, Mohammad Arif Ishtiaque, Md Ashiqur Rahaman Khan, Miguel Mendoza, Matthew Garcia et Yirong Lin. « Synthesis and Characterization of Nanowire-Graphene Aerogel for Energy Storage Devices ». Dans ASME 2012 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/imece2012-86431.

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The study of graphene has become one of the most exhilarating topics in both academia and industry for being highly promising in various applications. Because of its excellent mechanical, electrical, thermal and nontoxic properties, graphene has shown promising application in energy storage devices such as lithium-ion-battery (LIB), super capacitor and solar cell. In lithium ion battery, graphite is the most commonly used material as anode. However, due to the limited specific surface area of graphite materials, the diffusion of the Li ions in the anode graphite is relatively slow, leading to limited energy storage density. In order to further increase the capacity, nano-structured materials have been extensively studied due to its potential in reducing Li-ion diffusion pathway. To date, one of the most promising approaches to improve the Li-ion diffusion rate is to introduce hybrid nanostructured electrodes that connect the nonconductive high surface area nanowire with nanostructured carbon materials. While there have been several research efforts investigated to fabricate nanowire-graphene hybrids, all the them were focused on randomly distributed nanostructures thus the LIB performance enhancement was limited. Therefore, this paper will introduce a novel hybrid structure with vertically aligned nanowire on graphene aerogel aiming to further increase the performance of LIB. The aligned nanowire array provides a higher specific surface area and could lead to high electrodeelectrolyte contact area and fast lithium ion diffusion rate. While the graphene aerogel structure is electrically conductive and mechanically robust, as well as has low specific density. The developed nanowire/graphene hybrid structure could have the potential to enhance the specific capacity and charge-discharge rate. Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD) measurements were used for the initial characterization of this nanowire/graphene aerogel hybrid material system.
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Kanbur, Kürşat, Işıl Birlik, Fatih Sargin, Funda Ak Azem et Ahmet Türk. « Optimization of Oxidation Time During Graphene Oxide Production ». Dans 7th International Students Science Congress. Izmir International guest Students Association, 2023. http://dx.doi.org/10.52460/issc.2023.045.

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Graphene oxide (GO) consists of one or several stacked graphene structures equipped with various functional groups. It has applications in many areas such as biomaterials, energy storage. sensors and photocatalytic degradation thanks to its high surface area, adjustable band gap and dispersibility in various solvents. Although there are various production techniques for GO synthesis, Improved Hummer’s Method stands out with its high efficiency and controllable production parameters. In this method, graphite is oxidized after intercalation with various acids and GO is obtained by exfoliation in the next stages. The effects of production parameters such as oxidation time, oxidant type, oxidant amount, drying processes are generally investigated in Hummer's method. In this study, the effect of oxidation time on GO structure was investigated. In this context, GO was synthesized with various oxidation times by using Modified Hummer's Method. Then, the structural and optical properties of GO were investigated by X-Ray diffraction (XRD), Fourier-Transform infrared spectroscopy (FTIR) and UV-Visible Light spectrophotometer (UV-Vis). The results showed that there is an optimum oxidation time for the oxidation degree of GO structure.
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Kanbur, Kürşat, Işıl Birlik, Fatih Sargin, Funda Ak Azem et Ahmet Türk. « Optimization of Oxidation Time During Graphene Oxide Production ». Dans 7th International Students Science Congress. Izmir International guest Students Association, 2023. http://dx.doi.org/10.52460/issc.2023.045.

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Graphene oxide (GO) consists of one or several stacked graphene structures equipped with various functional groups. It has applications in many areas such as biomaterials, energy storage. sensors and photocatalytic degradation thanks to its high surface area, adjustable band gap and dispersibility in various solvents. Although there are various production techniques for GO synthesis, Improved Hummer’s Method stands out with its high efficiency and controllable production parameters. In this method, graphite is oxidized after intercalation with various acids and GO is obtained by exfoliation in the next stages. The effects of production parameters such as oxidation time, oxidant type, oxidant amount, drying processes are generally investigated in Hummer's method. In this study, the effect of oxidation time on GO structure was investigated. In this context, GO was synthesized with various oxidation times by using Modified Hummer's Method. Then, the structural and optical properties of GO were investigated by X-Ray diffraction (XRD), Fourier-Transform infrared spectroscopy (FTIR) and UV-Visible Light spectrophotometer (UV-Vis). The results showed that there is an optimum oxidation time for the oxidation degree of GO structure.
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Zubko, I. Yu. « Exact solution for inner displacements of graphene lattice ». Dans ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES. AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4932929.

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Zubko, I. Yu, et V. I. Kochurov. « Computation of graphene elastic moduli at low temperature ». Dans ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES. AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4932930.

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Guo, Qihang, Jinyu Zhang, Yu He, Jiahao Kang, He Qian, Yan Wang et Zhiping Yu. « The electronic structure of graphene nanomesh ». Dans 2010 10th IEEE International Conference on Solid-State and Integrated Circuit Technology (ICSICT). IEEE, 2010. http://dx.doi.org/10.1109/icsict.2010.5667678.

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Vesely, S. L., A. A. Vesely et S. R. Dolci. « The Fine Structure Constant and Graphene ». Dans 2019 PhotonIcs & Electromagnetics Research Symposium - Spring (PIERS-Spring). IEEE, 2019. http://dx.doi.org/10.1109/piers-spring46901.2019.9017668.

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Peng, Liu, Bang Li, Xin Yan, Xia Zhang et Xiao-Min Ren. « Graphene/InAs nanowire composite structure photodetector ». Dans Sixth Symposium on Novel Photoelectronic Detection Technology and Application, sous la direction de Huilin Jiang et Junhao Chu. SPIE, 2020. http://dx.doi.org/10.1117/12.2558432.

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Shmavonyan, G. Sh, et A. R. Mailian. « Graphite Pencil Drawn Lines : A Nanomaterial or Few Layer Graphene/Graphite Layered Structure ». Dans 2nd International Conference on Green Materials and Environmental Engineering. Paris, France : Atlantis Press, 2015. http://dx.doi.org/10.2991/gmee-15.2015.4.

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Zhang, Bin, Jingwei Zhang, Chengguo Liu et Zhi Peng Wu. « Graphene-based THz Antenna with A Graphene-metal CPW Feeding Structure ». Dans 2018 11th UK-Europe-China Workshop on Millimeter Waves and Terahertz Technologies (UCMMT). IEEE, 2018. http://dx.doi.org/10.1109/ucmmt45316.2018.9015773.

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Rapports d'organisations sur le sujet "Graphene Structure"

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Plachinda, Pavel. Electronic Properties and Structure of Functionalized Graphene. Portland State University Library, janvier 2000. http://dx.doi.org/10.15760/etd.585.

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Gaillard, J. Cross-cutting High Surface Area Graphene-based Frameworks with Controlled Pore Structure/Dopants. Office of Scientific and Technical Information (OSTI), septembre 2017. http://dx.doi.org/10.2172/1395966.

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Wang, Feng. Technical report on "BES Early Career. Control Graphene Electronic Structure for Energy Technology". Office of Scientific and Technical Information (OSTI), juillet 2015. http://dx.doi.org/10.2172/1192236.

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Flynn, George W. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces. Office of Scientific and Technical Information (OSTI), février 2015. http://dx.doi.org/10.2172/1170229.

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Pisani, William, Dane Wedgeworth, Michael Roth, John Newman et Manoj Shukla. Exploration of two polymer nanocomposite structure-property relationships facilitated by molecular dynamics simulation and multiscale modeling. Engineer Research and Development Center (U.S.), mars 2023. http://dx.doi.org/10.21079/11681/46713.

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Polyamide 6 (PA6) is a semi-crystalline thermoplastic used in many engineering applications due to good strength, stiffness, mechanical damping, wear/abrasion resistance, and excellent performance-to-cost ratio. In this report, two structure-property relationships were explored. First, carbon nanotubes (CNT) and graphene (G) were used as reinforcement molecules in simulated and experimentally prepared PA6 matrices to improve the overall mechanical properties. Molecular dynamics (MD) simulations with INTERFACE and reactive INTERFACE force fields (IFF and IFF-R) were used to predict bulk and Young's moduli of amorphous PA6-CNT/G nanocomposites as a function of CNT/G loading. The predicted values of Young's modulus agree moderately well with the experimental values. Second, the effect of crystallinity and crystal form (α/γ) on mechanical properties of semi-crystalline PA6 was investigated via a multiscale simulation approach. The National Aeronautics and Space Administration, Glenn Research Center's micromechanics software was used to facilitate the multiscale modeling. The inputs to the multiscale model were the elastic moduli of amorphous PA6 as predicted via MD and calculated stiffness matrices from the literature of the PA6 α and γ crystal forms. The predicted Young's and shear moduli compared well with experiment.
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Szlufarska, Izabela, Dane Morgan et Todd Allen. Modeling Fission Product Sorption in Graphite Structures. Office of Scientific and Technical Information (OSTI), avril 2013. http://dx.doi.org/10.2172/1082917.

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Carlisle, J. A., E. L. Shirley et E. A. Hudson. Probing the graphite band structure with resonant soft-x-ray fluorescence. Office of Scientific and Technical Information (OSTI), avril 1997. http://dx.doi.org/10.2172/603582.

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Rickard, N. D. STRUCTURAL DESIGN CRITERIA FOR REPLACEABLE GRAPHITE CORE ELEMENTS. Office of Scientific and Technical Information (OSTI), septembre 1989. http://dx.doi.org/10.2172/10197186.

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Yahr, G. T., et D. G. O`Connor. Structural design criteria and design data for AVLIS graphite components. Office of Scientific and Technical Information (OSTI), septembre 1985. http://dx.doi.org/10.2172/711805.

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Robert L. Bratton et Tim D. Burchell. Status of ASME Section III Task Group on Graphite Support Core Structures. Office of Scientific and Technical Information (OSTI), août 2005. http://dx.doi.org/10.2172/911242.

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