Orientador: Douglas Soares Galvão / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-07T20:03:25Z (GMT). No. of bitstreams: 1 Martins_BrunoVieiradaCunha_M.pdf: 9990355 bytes, checksum: 99ae9e77c86e165f825dfcd49bc23de6 (MD5) Previous issue date: 2006 / Resumo: Apresenta-se neste trabalho um estudo teórico baseado em uma nova familia de nanoestruturas de carbono, as chamadas nanofitas de carbono. Estas consistem em fitas delgadas de grafeno com a singular característica de possuírem uma conformação de equilíbrio na forma espiral, a qual pode ser mais estável que a conformação planar, viabilizada pelo delicado equilíbrio de forças entre a interação de van der Waals e a tensão elástica gerada pelo empenamento. Sua proximidade topológica com as nanoespirais, das quais foram inspiradas, permite o estabelecimento de paralelos estruturais e funcionais que orientam o trabalho. Os métodos de cálculo consistem em mecânica e dinâmica molecular clássicas utilizando o campo de força reativo de Brenner. O modelo, construído de acordo com princípios quânticos incorporados de forma paramétrica, permite a descrição da formação e quebra de ligações químicas a partir de informações sobre o ambiente onde o átomo está inserido. As simulações indicam a viabilidade da obtenção de espirais a partir de fitas para baixas temperaturas, o que em princípio permite que estas substituam as nanoespirais em suas aplicações como nanoatuadores. A possibilidade de formação de anéis a partir de condições geométricas especiais também é explorada. A diversidade topológica e a viabilidade de obtenção de estruturas diferenciadas em função da temperatura constituem propriedades únicas com um potencial de aplicação no desenvolvimento de nanoestruturas de formato variável. Em relação às nanoespirais, o trabalho soluciona o problema da formação de estruturas cônicas em processos dinâmicos. / Abstract: This work presents a theoretical study based on a novel family of carbon nanostructures, the carbon nanobelts. These structures consists in narrow graphene stripes having the spiral form as one of its equilibrium configurations, which may be more stable than the planar conformation. This stability condition is determined by a delicate balance between the van der Waals interactions and the elastic tension generated by the bending. Its topological proximity with the nanoscrolls, from which they were inspired, allows the obtention of their common structural and functional features. The calculation methods consist in classical molecular mechanics and dynamics using the reactive Brenner forcefield. The model, constructed in accordance with quantum principles incorporated in a parametric form, allows the description of formation and broken of chemical bonds from the informations about the environment where the atoms are inserted. The simulations points to the viability of obtaintion of spirals from belts at low temperatures, what in principle allows the substitution of nanoscrolls in its applications as nanoactuators. The possibility of formation of rings from special geometric conditions is explorated. The topological diversity and the viability of obtention of differentiated structures as a function of the temperature constitute unique properties with a potential application in the development of variable shape nanostructures. In relation to nanoscrolls, this work solves the problem of formation of conical structures in dynamical processes. / Mestrado / Física da Matéria Condensada / Mestre em Física

Orientador: Fernando Iikawa / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin / Made available in DSpace on 2018-08-14T10:28:22Z (GMT). No. of bitstreams: 1 Gadret_EvertonGeiger_M.pdf: 38585296 bytes, checksum: 3da598e65313d603b738c440498d2858 (MD5) Previous issue date: 2009 / Resumo: Neste trabalho foram estudadas as propriedades ópticas de nanofios de InP crescidos pelo método Vapor-Liquid-Solid (VLS) no sistema Chemical Beam Epitaxy (CBE) através da técnica de micro-fotoluminescência variando parâmetros de medida, tais como potência de excitação, polarização do sinal emitido e temperatura da amostra. Devido à formação de politipismo (InP nas fases cúbica, do tipo blenda de zinco (ZB), e hexagonal, do tipo wurtzita (WZ)) esta estrutura se torna interessante sob o ponto de vista das propriedades ópticas, devido às interfaces InP¿ZB/InP¿WZ do tipo II. Notamos que há poucas informações na literatura a respeito da estrutura eletrônica do InP na fase wurtzita porque esta fase só foi relatada em nanofios. Concentramos, assim, nossa investigação sobre a estrutura eletrônica de nanofios que contenham ambas as fases. Identificamos emissões ópticas dos poços quânticos tipo II em nanofios de InP assim como emissões envolvendo impurezas aceitadoras rasas e recombinação no gap do InP¿WZ. A emissão óptica dos poços quânticos tipo II é dominante a baixas temperaturas, abaixo de 100K, e está entre 1,44 e 1,46eV a 10K. O comportamento desta emissão como função da temperatura, potência de excitação e polarização da luz está de acordo com a estrutura proposta e é confirmada por imagem de microscopia eletrônica de transmissão (TEM). A emissão óptica da impureza rasa está ~ 43meV abaixo da emissão do poço quântico, valor bem próximo do carbono aceitador no InP na fase cúbica. A emissão óptica associada ao InP¿WZ em 1,49eV (10K) foi observada a temperaturas de 10K a 300K, em concordância com resultados relatados na literatura. Observamos também transição óptica relacionada a portadores localizados nas barreiras dos poços quânticos a temperaturas mais altas, acima de 150K. / Abstract: Optical properties of InP nanowires grown by Vapor-Liquid-Solid (VLS) method in a Chemical Beam Epitaxy system were investigated by using micro-photoluminescence spectroscopy varying experimental parameters such as excitation power, emitted signal polarization and sample temperature. Due to polytypism (InP in cubic, zincblende (ZB), and hexagonal, wurtzite (WZ) phases), this structure becomes interesting by the point of view of optical properties, due to type¿II InP¿ZB/InP¿WZ interfaces. We have noticed that there are few informations in the literature about electronic structures of InP in wurtzite phase, because this phase has been only reported in nanowires. We focused, thus, our investigation about electronic structure of nanowires having both structural phases. We identified optical emissions from type II quantum wells in InP nanowires as well as emissions involving shallow acceptor impurities and InP¿WZ gap recombination. The type II quantum well optical emission is dominant at low temperatures, below 100K, which is in 1,44 ¿ 1,46eV range at 10K. This emission behavior as function of temperature, excitation power and light polarization is in agreement with the proposed structure and is supported by transmission electronic microscopy (TEM) imagem. The shallow impurity emission is ~ 43meV below the quantum well emission, a value close to the carbon acceptor in InP in cubic phase. The optical emission associated to the InP¿WZ at 1,49eV (10K) was observed from temperatures of 10K to 300K, in agreement with results reported in literature. We also observed an additional optical transition related to the carrier localized at the barriers of the quantum wells at at high temperatures, above 150K. / Mestrado / Física da Matéria Condensada / Mestre em Física

Orientador: José Antônio Brum / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Física Gleb Wataghin / Made available in DSpace on 2018-08-28T23:45:16Z (GMT). No. of bitstreams: 1 Andriolo_HelderFaria_M.pdf: 2066347 bytes, checksum: c0835c5528aa09df816a2dfb45249e5f (MD5) Previous issue date: 2015 / Resumo: Nesse trabalho estudamos um sistema de GaAs/In_{0.27}Ga_{0.73} As/Al_{0.3}Ga_{0.7}As, intencionalmente dopado com material do tipo-n, em que ocorre a transferência de elétrons, provenientes da dopagem, para o poço quântico de In_{0.27}Ga_{0.73}As, formando um gás de elétrons bidimensional no poço. A seguir o efeito da introdução de pontos quânticos auto-organizados de InAs na estrutura foi analisado. Nossos resultados mostram uma pequena mudança no perfil de potencial da estrutura. O que ocorre após a introdução dos pontos quânticos é, basicamente, uma redistribuição dos elétrons, que agora passam a ocupar o poço quântico e o ponto quântico. Estudamos também as propriedades ópticas, espectros de absorção e emissão, de pontos quânticos acoplados com gás de portadores. Para isso foi necessário estabelecer um método na qual discretizamos o contínuo de níveis energéticos do gás de portadores (elétrons), o método através da cadeia de Wilson foi o utilizado nos cálculos, embora outros dois métodos também tenham sido mostrados. Introduzimos, por fim, um íon de manganês no centro do ponto quântico e calculamos espectros de emissão desse sistema com os níveis do gás elétrons discretizados através da cadeia de Wilson / Abstract: In this work, we study a GaAs/In_{0.27}Ga_{0.73}As/Al_{0.3} Ga_{0.7}As system intentionally doped n-type material, which occurs a transfer of electrons from the doping into In_{0.27}Ga_{0.73}As quantum well, forming a two-dimensional electron gas in the well. Next, the effect of introducing self-assembled InAs quantum dots in the structure was analyzed. Our results show little change in potential profile of the structure. What happens after the introduction of quantum dots is basically a redistribution of electrons, that now occupy the quantum well and quantum dot. We also studied the optical properties, absorption and emission, of quantum dots coupled with carrier gas. This required establishing a method in which discretize the continuous energy levels of the carrier gas (electrons), the method by Wilson chain was used in the calculations, although other two methods also have been shown. Introduced, finally, a manganese ion in the center of the quantum dot, and we calculated emission spectra of this system, with the electron gas levels discretized by Wilson chain / Mestrado / Física / Mestre em Física / 131432/2013 / 2013/25371-1 / CNPQ / FAPESP

Carbon nanotubes have unique electronic, optical, mechanical, and transport properties which make them an important element of nanoscience and nanotechnology. However, successful application and integration of carbon nanotubes into new nanodevices requires fundamental understanding of their property changes under the influence of many external factors. This dissertation presents qualitative and quantitative theoretical understanding of property changes, while carbon nanotubes are exposed to the deformations, defects, external electric fields, and adsorption. Adsorption mechanisms due to Van der Waals dispersion forces are analyzed first for the interactions of graphitic materials and biological molecules with carbon nanotubes. In particular, the calculations are performed for the carbon nanotubes and graphene nanoribbons, DNA bases, and their radicals on the surface of carbon nanotubes in terms of binding energies, structural changes, and electronic properties alterations. The results have shown the importance of many-body effects and discrete nature of system, which are commonly neglected in many calculations for Van der Waals forces in the nanotube interactions with other materials at nanoscale. Then, the effect of the simultaneous application of two external factors, such as radial deformation and different defects (a Stone Wales, nitrogen impurity, and mono-vacancy) on properties of carbon nanotubes is studied. The results reveal significant changes in mechanical, electrical, and magnetic characteristics of nanotubes. The complicated interplay between radial deformation and different kinds of defects leads to the appearance of magnetism in carbon nanotubes which does not exist in perfect ones. Moreover, the combined effect of radial deformation and external electric fields on their electronic properties is shown for the first time. As a result, metal-semiconductor or semiconductor-metal transitions occur and are strongly correlated with the strength and direction of external electric field and the degree of radial deformations.

Molecular self-assembly or ligand-metal assembly is a process in which several individual molecules and metal ions organize themselves into an ordered arrangement without external stimuli, the defined structures can lead to distinctive electronic and photonic performances. In the meantime, as the scale of materials decreases, various unique properties arise from their minute scaled dimensions, such as surface effect, volume effect, quantum effect and dielectric confinement effect, etc. Therefore, the design and fabrication of the micro- and nanomaterial via the technique of molecular self-assembly or ligand-metal assembly is becoming an emerging research field, for the purpose of meeting the increased demands of multi-functional materials. Chapter 1 gives an overview of the advanced materials prepared by either molecular self-assembly or ligand-metal assembly. We described the interaction nature in detail, and enumerated the applications as well as developments of this scientific field. Furthermore, the detailed classifications as well as previous work of these advanced materials we researched on, such as two dimensional nanosheets, hetero-structured materials and cyclometalated iridium(Ⅲ) complexes were also amply summarized. Two-dimensional nanosheets have always been a research hotspot since graphene was discovered and isolated. In contrast, molecule-based organometallic nanosheets through bottom-up method exhibit more inner structures. In Chapter 2, we constructed two classes of organometallic nanosheets with different intermolecular forces, one is metal-ligand coordination, while the other one is the aromatic (π-π) interaction. Two-dimensional nanosheets with Hg-acetylide linkages, bis(dipyrrinato)metal linkages as well as bis(terpyridine)metal linkages were synthesized and characterized by UV-Vis absorption spectroscopy, FT-IR spectroscopy, optical and electron microscopy, photoluminescence spectroscopy, thermal gravimetric analysis, X-ray photoelectron spectroscopy and so on. In addition, the potential applications were explored as well, including the tests of charge mobility and current capacitance. Meanwhile we also investigated the two-dimensional nanosheets self-assembled by aromatic (π-π) interaction. The morphology characterizations, crystal form measurements, besides elemental analyses were conducted. By means of surface control, the hybrid nanosheets could achieve many superior performances, like super hydrophobicity, high conductivity and soft magnetism. In Chapter 3, we firstly mentioned that organic hetero-structured micro- or nanomaterials are widely attractive on account of its extensive applications in lasers, bipolar transistors, field effect transistors and solar cells. In our work, we focus on the diverse microrods assembled from π-conjugated small molecules, especially in the construction of heterogeneous organic heterojunction materials with specific components distribution. Two novel kinds of heterostructure, multilayer core-shell structured heterojunction and heterogeneous rod-tail helix were fabricated and developed both via a stepwise seeded-growth route, in which the different constituents possess different colors of luminescence. Through the media of fluorescence microscopy and confocal microscopy, the core-shell hetero- structures can be observed, testified and recorded quite distinctly. Furthermore, the prepared method by employing seeded-precursor could give us a revelation about constructing more sophisticated and functional organic luminescent heterogeneous materials. Chapter 4 focuses on the syntheses and characterization of eight cyclometalated iridium(Ⅲ) complexes, Ir(TPY)2(Dipyrrinato), Ir(PIQ)2(Dipyrrinato), Ir(Ligand 1)2(Dipyrrinato), Ir(Ligand 2)2(Dipyrrinato), Ir(Ligand 3)2(Dipyrrinato), Ir(PPY)2 (Dipyrrinato), Ir(m-PPY)2(Dipyrrinato) and Ir(PPY-m)2(Dipyrrinato). As is known, iridium(Ⅲ) complexes can exploit the energy of both 25% singlet and 75% triplet excited states. Due to their highly efficient applications in phosphorescent OLEDs, these materials are considered as one of the potential candidates for flexible display screen as well as clearing luminary. Among those full-color light-emitting iridium(Ⅲ) phosphors, near-infrared (NIR) phosphors are broadly utilized in phototherapy as well as biosensors. Herein, our eight synthetic cyclometalated iridium(Ⅲ) complexes all gave photoluminescence at 680 - 700 nm in solution, which could be attributed to the NIR region. We continuously tune the extensive conjugation on the C^N ligands in order to make longer wavelength emitting phosphors. The HOMO and LUMO of eight synthetic iridium(Ⅲ) phosphors were also calculated according to their cyclic voltamograms (CV). The design and preparation strategy in this thesis can inspire us to develop near-infrared as well as higher-performance organometallic phosphors.

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第22459号 / 工博第4720号 / 新制||工||1737(附属図書館) / 京都大学大学院工学研究科物質エネルギー化学専攻 / (主査)教授 作花 哲夫, 教授 安部 武志, 教授 阿部 竜 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DGAM

In this thesis, the single-level correlated quantum dot attached to two BCS superconducting leads is analyzed. A difference in the superconducting phases of the leads induces the DC Josephson supercurrent in the junction. In this setup, the influence of asymmetrical dot-lead couplings on transport properties is clarified analytically. The coupling asymmetry and the phase difference can be combined into one function, which allows us to calculate physical properties of a system with coupling asymmetry from the properties of its effective symmetric counterpart. The coupling asymmetry turns out to be an important parameter which influences the position of the 0 − �෰ quantum phase transition even in the strongly correlated Kondo regime. Further, this thesis contributes to the interpretation of an AC Josephson current measurement, in which a surprising drop in the amplitude was observed in the Kondo regime. The experimental setup is characterized using numerical renormalization group calculations of the equilibrium many-body spectra. Possible quantum-point-contact- based interpretations are discussed. Although a drop in the AC Josephson current at the experimental bias voltage is also expected in a quantum point contact, we conclude that the physical mechanisms causing it in the quantum dot system are likely not...

This master thesis is focused on characterization of electrical transport properties of one-dimensional nanostructures. First section of this work deals with theoretical description of the experimental approaches to realization of such measurements. This section involves also a detail discussion of preparation of contacts using e-beam lithography. Next, theoretical description of characterization of nanostructures using photoluminescence measurements is given. Second section describes practical application of the aforementioned electrical transport measurements. Presented results include transport and photoluminescence measurements of WS2 nanotubes, InAs and WO2.72 nanowires. The last section of this thesis deals with nanowire quantum well heterostructures. The section provides both a deeper theoretical view of the problem and results of the photoluminescence measurements are shown.

Color filters enable photosensors to obtain spectral composition of incoming radiation, be it to mimic human vision or to separate analytical signals. Efforts to increase the resolution of these photosensors lead to decrease in size of individual picture elements – pixels, which places increasing demands on the color filter technology. Conventional color filters operating on the principle of absorption of light in organic pigments are frequently used, but they are no longer meeting growing requirements of increasing sensor resolution. Here, metasurfaces comes to an aid, utilizing nanostructures to separate colors and thus creating structural coloration. There are many approaches to separate colors using metasurfaces, but each carries certain disadvantages with their principle of operation. In this thesis, we present a novel approach to separate colors which utilizes manipulation of radiation polarization. The presented color filter is first modeled and optimizes through numerical simulations and then manufactured using nanofabrication methods. Finally, the optical response of nanostructures is verified by several optical spectroscopy methods.

This master thesis deals with supercapacitors based on electrical double layer and proper carbon electrodes for this type of supercapacitors. In theoretical part of work is described theory of supercapacitors, energy storage principles and their properties. In the next part are described carbon materials, their properties and electrochemical methods of measurements that we used. In the experimental part is described preparation of electrodes, results and conclusion.