Academic literature on the topic 'SWCNH'

The aim of this research is to fabricate an electrically conducting, smooth, continuous and sensitive nanofiber using tri-block copolymer PS-b-PDMS-b-PS and SWCNTs by electrospinning. The electronic nanofibers may be utilized for effective biosensing applications. The SWCNTs have been of great interest to researchers because of their exceptional electrical, mechanical, and thermal properties. The nanoscale diameter, high aspect ratio, and low density make them an ideal reinforcing candidate for novel nanocomposite material. Electrically conducting fibers are prepared by electrospinning a solution of PS, PS-b- PDMS-b-PS and functionalized SWCNTs using solvent DMF. The fibers formed have an average diameter and height of 5 and 4 μm respectively. These fibers are characterized by SEM, AFM, and optical microscopy. The electrical characterization of a single fiber shows an almost linear graph of current vs. voltage using the Kelvin Sensing method. This linear graph exemplifies the conducting nature of the fiber. Future work includes preparing nanofibers decorated with functional groups and binding with specific type of enzyme or protein to study their I-V behavior. This approach or method can be utilized for bio-sensing activities, especially for the detection of various antibodies and protein molecules.

Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2013.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (p. 27).<br>Lithium-ion batteries are commonly used in portable electronics, and the rapid growth of mobile technology calls for an improvement in battery capabilities. Reducing the particle size of electrode materials in synthesis is an important strategy for improving their rate capability and power density (which is the capacity at high rates). Using biological materials as a template during synthesis allows us to achieve this, improving synthesis methods. Utilizing biological materials makes it possible to synthesize nano-scale particles, and using the M13 virus has shown to be an early solution. The addition of conductive material, such as single-walled carbon nanotubes (SWCNT or CNT), also improves the conductivity of the electrode, further improving the battery's rate capabilities (Lee et al., 2009). In this study, our goal is to improve the conductivity of the LIB battery cathode using M13-carbon nanotube complexes.<br>by Melanie Chantal Adams.<br>S.B.

We have investigated single-walled carbon nanotube (SWCNT) networks wrapped with the cationic surfactant sodium dodecyl-benzenesulfonate (SBDS) as promising candidates for water detection. This is the first time that the humidity behavior of endohedral Li-doped (Li@) and undoped SWCNTs/SDBS has been shown. We identified a strong and almost monotonic decrease in resistance as humidity increased from 11 to 97%. Sensitivities varied between −3 and 65% in the entire humidity range. Electrical characterization, Raman spectroscopy, and high-resolution transmission electron microscopy (HRTEM) analysis revealed that a combination of the electron donor behavior of the water molecules with Poole-Frenkel conduction accounted for the resistive humidity response in the Li@SWCNT/SDBS and undoped SWCNT/SDBS networks. We found that Li@SWCNTs boosted the semiconducting character in mixtures of metallic/semiconducting SWCNT beams. Moreover, electrical characterization of the sensor suggested that endohedral Li doping produced SWCNT beams with high concentration of semiconducting tubes. We also investigated how frequency influenced film humidity sensing behavior and how this behavior of SWCNT/SDBS films depended on temperature from 20 to 80 ∘ C. The present results will certainly aid design and optimization of SWCNT films with different dopants for humidity or gas sensing in general.

Single wall carbon nanotubes (SWCNTs) show a variety of unparalleled properties such as high electrical and thermal conductivity, high specific surface area (SSA) and a large stiffness under axial loads. One of the major challenges in tapping the vast potential of SWCNTs is to fabricate nanotube based macrostructures that retain the unique properties of nanotubes. Pristine SWCNT aerogels are highly porous, isotropic structures of nanotubes mediated via van der Waals (VDW) interactions at junctions. The mechanical behavior of such aerogels is examined in several experimental studies. However, it is necessary to supplement these studies with insights from simulations in order to develop a fundamental understanding of deformation behavior of SWCNT aerogels. In this study, the mechanical behavior of SWCNT networks is studied using a multi-scale modeling approach. The mechanics of an individual nanotube and interactions between few nanotubes are modeled using molecular dynamics (MD) simulations. The results from atomistic simulations are used to inform meso-scale and continuum scale finite element (FE) models. The deformation mechanism of pristine SWCNT networks under large compressive strain is deduced from insights offered by meso-scale simulations. It is found that the elasticity of such networks is governed by the bending deformation of nanotubes while the plastic deformation is governed by the VDW interactions between nanotubes. The stress response of the material in the elastic regime is dictated by the VDW stresses on nanotubes while in the plastic regime, both the VDW and axial deformation stresses on nanotubes drive the overall stress response. In this study, the elastic behavior of a random SWCNT network with any set of junction stiffness and network density is also investigated using FE simulations. It is found that the elastic deformation of such networks can be governed either by the deformation of the nanotubes (bending, axial compression) or deformation of the junctions. The junction stiffness and the network density determine the network deformation mode. The results of the FE study are also applicable to any stiff fiber network.

Poly[lactic co-glycolic] acid (PLGA) is a biocompatible polymer commonly used in the field of tissue engineering, but its mechanical properties tend to be less than ideal for most orthopedic applications. Five PLGA composites, reinforced with 0 to 1% nonfunctionalized single-walled carbon nanotubes, were prepared and tested for tensile strength. In order to achieve consistent nanotube dispersions, sodium dodecyl sulfate was incorporated as a surfactant. The polymer scaffold fabrication methods were successful at creating suitable samples for tensile testing. After the tests were performed, scanning electron microscope images were taken to examine the fractured edges and determine the cause of failure. Analysis of fractured surfaces indicated good nanotube dispersions in all composite samples, and an increase in tensile strength, with respect to the control (0.532 MPa), was found for composites at the 0.07% nanotube and 0.09% nanotube concentrations (0.570 MPa and 0.643 MPa respectively). Total length at failure decreased as carbon nanotube concentration increased. This experiment showed a promising trend toward increasing the mechanical properties of PLGA/carbon nanotube composites and represented a prospective foundation for future research.

Fabrication of SWCNT-PMMA and Activated Charcoal- PMMA composites was carried out by the compression moulding technique. Then Mechanical and Electrical properties of the composites were investigated. The morphological studies of composites showed a) good dispersion of fillers and b) good interaction between fillers and matrix. Electrical conductivity of SWCNT-PMMA composites was increased by 9 orders of magnitude (at 0.8 % volume fraction of SWCNT) and that of AC-PMMA composites increased by 16 orders of magnitude (at 17 % volume fraction of AC). The percolation threshold of both composites turned out to be lower compared to the theoretical values. A significant improvement in mechanical properties was obtained ??? particularly in AC-PMMA composites which showed a 400 % improvement in Vickers microhardness ??? raising the polymer matrix abrasion property literally to that of Aluminium alloys (Dobrazanski et al 2006). In conclusion, it is to be noted that Activated Charcoal - PMMA composites have a great potential for cost effective conducting polymer composite production by the use of cheap filler: In addition, the compression moulding technique shows good potential for cost effective fabricating technique for amorphous polymers with high electrical and mechanical properties.

Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-06-02T14:11:01Z No. of bitstreams: 1 arthurbarraporto.pdf: 4422124 bytes, checksum: 6ea016d6bb89f506c7e2ee4f2fdc7a24 (MD5)<br>Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-06-06T12:08:10Z (GMT) No. of bitstreams: 1 arthurbarraporto.pdf: 4422124 bytes, checksum: 6ea016d6bb89f506c7e2ee4f2fdc7a24 (MD5)<br>Made available in DSpace on 2017-06-06T12:08:10Z (GMT). No. of bitstreams: 1 arthurbarraporto.pdf: 4422124 bytes, checksum: 6ea016d6bb89f506c7e2ee4f2fdc7a24 (MD5) Previous issue date: 2017-03-31<br>O tratamento químico de nanotubos de carbono (NTC) é necessário para aprimorar suas propriedades, aplicações e remover impurezas. O tratamento, com ácidos fortes como H2SO4 e HNO3 tem sido a alternativa mais utilizada. A mistura desses ácidos fortes produz espécies eletrofílica NO2+, íon nitrônio, que é um potencial agente oxidante, cuja concentração depende da proporção da mistura H2SO4:HNO3. Neste trabalho, a interação entre o íon nitrônio e o nanotubo de carbono de camada única (SWCNT, do inglês Single-Walled Carbon Nanotube) foi explorado experimental e computacionalmente. Experimentalmente a solução H2SO4:HNO3 foi analisada em proporções diferentes (1:1, 2:1, 5:2, 3:1, 4:1, 5:1, 6:1, 7:1 e 8:1 v/v) e a concentração de íon nitrônio foi obtida utilizando-se uma curva analítica construída com uma solução padrão de NO2BF4 em H2SO4. Todas as espécies na mistura ácida foram caracterizadas por espectroscopia Raman. Os resultados mostraram que a concentração do íon nitrônio na mistura ácida varia de 0 até 4,53 mol/L. As misturas 2:1, 5:2 e 3:1 foram então utilizadas para a oxidação química de SWCNT por 4, 8 e 12 horas. As amostras finais foram analisadas por espectroscopia Raman, análise termogravimétrica (TG) e espectroscopia de raios X por dispersão de energia (EDS). Dentre os resultados, foram observados por meio da espectroscopia Raman uma alta desordem estrutural no sistema após a oxidação, com significativas mudanças nos modos de respiração radial (RBM), como o desaparecimento de bandas de tubos com pequenos diâmetros, além do aumento dada razão ID/IG de 0,027 para 0,59 em tubos oxidados com a mistura 3:1. As análises TG mostraram um aumento na temperatura de decomposição dos tubos em, pelo menos, 30ºC se comparado às amostras padrão, sugerindo um significativo grau de oxidação. Os resultados de EDS apontaram um aumento considerável na quantidade de oxigênio, passando de 7% para 20%, aumentando com o aumento do tempo de reação e com a concentração do íon nitrônio. Computacionalmente a interação entre o íon nitrônio e o SWCNT foi estudada através de cálculos de mecânica quântica. Foram analisados modelos do tipo armchair (5,5), sendo um tubo perfeito (P) e dois outros contendo defeitos do tipo Stone-Wales (SW) e monovacância (V1) para modelar regiões distintas na superfície do nanotubo. Para os modelos P e SW, o grupo funcional éter (COC) foi obtido como um produto principal, com um epóxido (CCO) encontrado como um intermediário de reação. As barreiras de energia livre de Gibbs foram de 31,7 kcal.mol-1 (P) e 37,8 kcal.mol-1 (SW) em solução aquosa à 298,15 K e 1 atm. O mecanismo envolvendo o modelo V leva à obtenção de uma carbonila (CO) como produto principal, formado espontaneamente através da adsorção do íon NO2+. O mecanismo de alta energia também foi descrito no modelo V, passando por um estado de transição, caracterizado como um anel do tipo oxaziridina. Através deste caminho um grupamento do tipo alcóxido (CO-) é formado inicialmente e reage com um carbono vizinho, produzindo um grupo funcional do tipo éter (COC). A energia livre de Gibbs de ativação foi de 4,5 e 11,2 kcal.mol-1 para primeiro (CO-) e segundo (COC) passos, respectivamente. Os resultados reportados sugerem o início da oxidação em meio ácido através da região de vacância, com primeira oxidação levando a uma carbonila, seguida das reações nos defeitos topológicos (P e SW) na superfície com a formação de um éter (COC) como principal produto.<br>The chemical treatment of carbon nanotubes (CNT) is necessary to improve their properties, applications and to remove impurities. Treatments with strong acids as H2SO4 and HNO3 is the mostly used alternative. The mixture of these strong acids produces the electrophilic species NO2+, the nitronium ion that is a potential oxidizing with concentration depending on the H2SO4:HNO3 proportion. In this work the interaction between the nitronium ion and a single-walled carbon nanotube (SWCNT) was explored experimentally e theoretically. Experimentally, the H2SO4:HNO3 solution was analyzed at different proportions (1:1, 2:1, 5:2, 3:1, 4:1, 5:1, 6:1, 7:1 and 8:1 v/v) and the nitronium ion concentration obtained using a calibration plot constructed from a standard solution of NO2BF4 in H2SO4. All the species in the acid mixture were characterized by Raman spectroscopy. The results showed that the concentration of nitronium ion in the acid mixtures varied from 0 to 4.53 mol/L. The mixtures 2:1, 5:2 and 3:1 were then used for the chemical oxidation of single-walled CNT for 4, 8 and 12 hours. The final samples were analyzed by Raman spectroscopy, thermal gravimetric analysis (TGA) and energy dispersive X-ray spectroscopy (EDS). It was observed by Raman spectroscopy a higher structural disorder in the system after the oxidation, with significant changes in RBM modes, such as disappearance of bands of small diameter tubes, and in the ID/IG ratio, which increases from 0.027 until 0.59 to CNT oxidized with 3:1 mixture. The TGA showed an increase in the temperature of the tube decomposition of at least 30ºC relative to the pristine form, suggesting a significant oxidation degree. The EDS data point to considerable increase of the oxygen amount from 7% to at least 20%, increasing with the reaction time and nitronium ion concentration. Theoretically the interaction between nitronium ion and SWCNT was studied by quantum mechanical calculations. In addition to the pristine (P) form of an armchair (5,5) SWCNT, two other species containing Stone-Wales (SW) and mono-vacancy (V1) defects were considered in order to model the distinct defective regions on the carbon nanotube surface. For the P and SW regions, the ether (COC) functional group was predicted as the main product, with an epoxide (CCO) found as a reactive intermediate. The Gibbs free energy barriers were predicted to be 31.7 (P) and 37.8 kcal mol-1 (SW) in aqueous solution at 298.15 K and 1 atm. The mechanism involving the V1 region leads to the carbonyl group (CO) as the main product, which is formed spontaneously upon NO2+ adsorption without energy barrier. A higher energy mechanism was also described for V1 region, passing through a transition state characterized as an oxaziridine-like ring. Through this pathway an alkoxy (CO-) is firstly formed and reacts with the neighbor carbon yielding the ether (COC) functional group. The activation Gibbs free energies were 4.5 and 11.2 kcal mol-1 for the first (CO- formation) and second (COC formation) steps, respectively. The results reported here suggest that at the beginning of oxidation in acid medium, the vacancy regions (V) are firstly oxidized leading to the carbonyl (CO) functional groups, followed by reactions at the topological defective parts (P and SW) of the tube surface where the ether (COC) function is the main product.

L’objectif final de la thèse est l'impression de la couche photo-active ternaire d'une cellule solaire organique en utilisant deux approches: l'une concerne l'apport de nanotubes de carbone (SWCNT) pour améliorer les propriétés de transport, l'autre concerne la préparation de mélanges ternaires de matériaux pour contrôler la couleur des cellules. Les encres pour la couche active incluant des SWCNT fonctionnalisés sont composées d’un donneur d'électron (polymère) (poly(3-hexylthiophène), [P3HT]) et d’un accepteur d'électron ( [6,6]-phényl C61-butyrique ester méthylique d'acide [PCBM]) et ont été développées pour la fabrication de cellules inversées. Ces cellules sont réalisées sur substrats de verre pour l'optimisation de leurs performances, puis sur substrats plastiques pour les applications. Diverses couches d'interfaces ont été testées, qui incluent l'oxyde de zinc (ZnO, couches obtenues par pulvérisation ionique (IBS) ou à partir de solutions de nanoparticules) pour la couche de transport d'électrons et le PEDOT:PSS, le P3MEET, le V2O5 et le MoO3 pour la couche de transport de trous. Des essais ont été effectués avec et sans CNT afin d’étudier leur impact sur les performances. Des résultats similaires sont obtenus dans les deux cas. Il était attendu que les CNT améliorent les performances, ce qui n’a pas été observé pour le moment. Des travaux supplémentaires sont donc nécessaires au niveau de la formulation de la couche active.Avec trois polymères de couleur rouge (P3HT), bleu (B1) et vert (G1), nous avons préparé des mélanges ternaires efficaces permettant l'obtention de couleurs jusque là indisponibles . Nous avons fait une étude sur le piégeage et les mécanismes de diodes parallèles associés aux mélanges. En général, nous avons constaté que les mélanges ternaires de polymères bleu et vert peuvent être décrits par une mécanisme de diodes parallèles, sans entrainer de perte de performances, ce qui n'est pas possible pour les systèmes P3HT:B1 :PCBM et P3HT:G1:PCBM qui se piègent mutuellement. L’objectif final du projet est l'impression de la couche photo-active ternaire d'une cellule solaire organique, composites ternaires (polymère:polymères:acceptor) ou dopés avec les SWCNT. Cette étape nécessite encore des développements futurs<br>Two approaches were followed to achieve increased control over properties of the photo-active layer (PAL) in solution processed polymer solar cells. This was accomplished by either (1) the addition of functionalized single-walled carbon nanotubes (SWCNTs) to improve the charge transport properties of the device or (2) the realization of dual donor polymer ternary blends to achieve colour-tuned devices.In the first component of the study, P3HT:PC61BM blends were doped with SWCNTs with the ambition to improve the morphology and charge transport within the PAL. The SWCNTs were functionalized with alkyl chains to increase their dispersive properties in solution, increase their interaction with the P3HT polymer matrix, and to disrupt the metallic characteristic of the tubes, which ensures that the incorporated SWCNTs are primarily semi-conducting. P3HT:PCBM:CNT composite films were characterized and prepared for use as the photoactive layer within the inverted solar cell. The CNT doping acts to increase order within the active layer and improve the active layer’s charge transport properties (conductivity) as well as showed some promise to increase the stability of the device. The goal is that improved charge transport will allow high level PSC performance as the active layer thickness and area is increased, which is an important consideration for large-area inkjet printing. The use of ternary blends (two donor polymers with a fullerene acceptor) in bulk-heterojunction (BHJ) photovoltaic devices was investigated as a future means to colour-tune ink-jet printed PSCs. The study involved the blending of two of the three chosen donor polymers [red (P3HT), blue (B1), and green (G1)] with PC61BM. Through EQE measurements, it was shown that even devices with blends exhibiting poor efficiencies, caused by traps, both polymers contributed to the PV effect. However, traps were avoided to create a parallel-like BHJ when two polymers were chosen with suitable physical compatibility (harmonious solid state mixing), and appropriate HOMO-HOMO energy band alignment. The parallel diode model was used to describe the PV circuit of devices with the B1:G1:PC61BM ternary blend

Avec le logiciel AIMPRO, qui fournit une modélisation quantique basée sur la théorie de fonctionnelle de densité, on étudie plusieurs exemples importants de la faiblesse des interactions intermoléculaires dans les nanomatériaux de carbone. Au niveau mécanique quantique, nos calculs donnent une compréhension fiable et améliorée du rôle et de la fonction des interactions intermoléculaires faibles, ce qui ne peut pas être prédit par des méthodes conventionnelles comme les potentiels interatomiques classiques. Premièrement, on étudie l’interaction entre le brome physisorbé sur les nanomatériaux de carbone (graphène, graphite, nanotubes de carbone simple [SWCNT] et double [DWCNT] parois). Pour le graphène, nous trouvons une nouvelle forme de Br2, à notre connaissance jamais présentée dans la littérature, où la molécule se trouve perpendiculaire à la feuille de graphène avec un dipôle fort. La bromation ouvre un gap de petite taille (86 meV) dans la structuré de bande électronique et dope fortement le graphène. Dans le graphite, Br2 reste parallèle aux couches de carbone avec un transfert de charge moins fort et sans dipôle moléculaire. À plus haute concentration, la formation de chaînes de polybromure est thermodynamiquement favorisée, mais n’a pas lieu spontanément à cause d’une barrière d’activation appréciable (27,01 kJ / mol). Avec les nanotubes monoparoi, le Br2 reste perpendiculaire à la surface du tube, comme observé avec le graphène; dans les fagots, le Br2 s'intercale comme dans le graphite. Les spectres Raman sont enregistrés afin de vérifier ce résultat. Dans la deuxième partie, on étudie des interactions d’empilement de type π-π entre le benzène d’une part, les chaînes oligomères de PPV d’autre part, avec des nanomatériaux de carbone. Pour le dimère du benzène, nous avons réussi à reproduire les structures stables trouvées par ailleurs via des calculs de plus haut niveau de théorie ; pour le benzène sur le graphène ou sur les SWCNTs, l'empilement est de type AB comme dans le graphite. L'orientation de l’interaction dans le cas PPV / PPV est différente de celle obtenue dans le cas PPV / nanotube ou PPV / graphène. Dans le premier cas des plans moléculaires sont orthogonaux, semblable à un empilement de PPV ou d'autres hydrocarbures aromatiques polycycliques. Dans les autres cas, l’axe de la chaîne de PPV se trouve parallèle au plan du graphène comme à l’axe des nanotubes, ce qui est attribué à des effets d'empilement π-π. L'analyse des fonctions d’onde près du niveau de Fermi suggère qu’il y a peu de couplage électronique entre PPV et SWCNTs. La différence d’interaction prévue entre PPV et nanotubes semi-conducteurs ou métalliques suggère une nouvelle conception de composites PPV-SWCNT pour les dispositifs électroluminescents organiques<br>This thesis uses the ab initio density functional modeling programme AIMPRO to study several important examples of weak intermolecular interactions in carbon nanomaterials. At the quantum mechanical level, our calculations give a reliable and improved understanding of the role and feature of weak intermolecular interactions, which cannot be accurately predicted by conventional methods such as classical interatomic potentials. First, the geometry and binding of bromine physisorbed on carbon nanomaterials (graphene, graphite and single walled nanotubes) is studied. In graphene, we find a new Br2 form which is reported for the first time in this thesis, where the molecule sits perpendicular to the graphene sheet with an extremely strong molecular dipole. Bromination opens a small (86- meV) band gap and strongly dopes the graphene. In graphite Br2 is stable parallel to the carbon layers with less charge transfer and no molecular dipole. At higher Br2 concentrations polybromide chain structures are thermodynamically favoured, but will not occur spontaneously due to an appreciable formation barrier (27. 01 kJ/mol). For single walled nanotubes Br2 lies perpendicular to the tube surface similar to graphene, while in bundles Br2 intercalates similar to graphite. Experimental Raman spectra are recorded to verify this result. We next study π-π stacking interactions between benzene and PPV oligomer chains with various carbon nanomaterials. For the benzene dimer we successfully reproduce high level theory stable structures, and for benzene on graphene and SWCNTs, the stacking arrangement matches AB- stacking in graphite. The orientation of the interaction between PPV/PPV is different from PPV/nanotube or PPV/graphene. In the former the molecular planes are orthogonal, similar to the crystal packing in PPV, as well as in other polyaromatic hydrocarbons. In the others the PPV plane lies (axially) parallel to the substrates, attributed to π-π stacking effects. Wavefunction analysis suggests very little electronic coupling between the PPV and SWCNTs near to the Fermi level. Predicted differences in interaction between PPV and semi-conducting or metallic tubes suggest a new route to experimental ultraefficient composite PPV-SWCNT organic light emitting device design