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Navegando por Autor "Silva, Elson Longo da"

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    Artigo
    An investigation of metal oxides which are photoluminiscent at room temperature
    (Elsevier, 2004-01) Leite, Edson Roberto; Pontes, Fenelon M.; Lee, Eduardo J. H.; Aguiar, Rosiana; Silva, Elson Longo da; Pontes, D. S. L.; Nunes, M. S. J.; Pizani, Paulo Sérgio; Lanciotti Júnior, Franchesco; Boschi, Tania M.; Varela, José A.; Paskocimas, Carlos Alberto; Pinheiro, Carlos Davidson; Taft, Carlton Anthony
    Amorphous thin films, based on different network formers, were processed by a soft chemical process called the polymeric precursor method. The resultant amorphous metal oxides, displayed intense photoluminescence (PL) at room temperature. Heat treatment increases the PL intensity of these materials. Theoretical ab initio calculations are correlated with the observed experimental trends
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    Black and green pigments based on chromium–cobalt spinels
    (Elsevier, 2011-09-15) Eliziário, Sayonara A.; Andrade, Jeferson M. de; Lima, Severino Jackson Guedes; Paskocimas, Carlos Alberto; Soledade, Luiz Edmundo Bastos; Hammer, Peter; Silva, Elson Longo da; Souza, Antônio Gouveia de; Santos, Ieda Maria Garcia dos
    Chromium and cobalt oxides are widely used in the manufacture of industrial pigments. In this work, the Co(Co2−xCrx)O4 powders with different chromium concentrations (x = 0, 0.25 and 1) were synthesized by the polymeric precursor method, heat treatment between 600 and 1000 °C. These powders were characterized by X-ray diffraction, infrared spectroscopy, colorimetry, UV–vis absorption and X-ray photoelectron spectroscopies. Even with the addition of chromium, the XRD patterns revealed that all powders crystallize in a single spinel cubic structure. The spinels with higher cobalt amount, Co(CoCr)O4 and Co(Co1.75Cr0.25)O4, displayed a dark color, without the Co3+ reduction observed in Co3O4 between 900 and 950 °C. The spinel with higher chromium amount, CoCr2O4, was green. The colors were directly related to the occupation of tetrahedral and octahedral sites by the chromophores, as well as to the different oxidation states of chromium and cobalt. The different optical band gap values estimated from UV–vis spectra suggested the existence of intermediary energy levels within the band gap. X-ray photoelectron spectroscopy confirmed an increasing presence of Co(III) and a decreasing amount of Cr(VI) with cobalt enrichment
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    Caracterização estrutural de Perovskitas Lax-1AxCoO3 (x=0 e 0,2) ,dopadas com cálcio e bario, por espectroscopia de absorção de raios X (XAS)
    (Universidade Federal do Rio Grande do Norte, 2013-09-09) Gomes, Washington Charles de Macedo; Melo, Dulce Maria de Araújo; http://lattes.cnpq.br/3318871716111536; http://lattes.cnpq.br/3878928377907965; Freitas, Júlio Cezar de Oliveira; http://lattes.cnpq.br/2357217530716519; Nasar, Ricardo Silveira; http://lattes.cnpq.br/9213856023536973; Silva, Elson Longo da; Pimentel, Patrícia Mendonça; http://lattes.cnpq.br/9303372770390061
    Neste trabalho foram investigados estruturas de perovskitas LaCoO3, La0,8Ba0,2CoO3 e La0,8Ca0,2CoO3 em função de temperatura, sendo que a estrutura LaCoO3 foi analisada apenas em temperatura ambiente. As caracterizações destes materiais foram realizadas pela espectroscopia de absorção de raios X (XAS) na borda K do cobalto levando em consideração modelo de Einstein correlacionado na estrutura fina de absorção (EXAFS). A primeira parte do espectro de absorção de raios X corresponde absorção de raios X próxima à borda de absorção (XANES) e a outra estende à espectroscopia da estrutura fina de absorção (EXAFS). Estes materiais foram preparados pelo método de combustão. Os produtos obtidos da combustão foram tratados termicamente por 9000C por 6 horas nesses materiais. Observou que a amostra LaCoO3 em temperatura ambiente e as amostras dopadas com Cálcio e Bário na faixa de temperatura entre 50 K a 298 K apresentaram uma maior distorção com simetria monoclínica com grupo espacial I2/a. No entanto, a amostra dopada com Bário nas temperaturas 50 K, 220 K e 260 K mostrou uma leve distorção com simetria romboédrica com grupo espacial R-3c. A estrutura La0,8Ca0,2CoO3 foi pouco sensível com a variação de temperatura, apresentando uma maior distorção local no octaedro e uma maior desordem térmica local. Estas interpretações estão de acordo com as informações estruturais eletrônica na região XANES e geométrica na região EXAFS
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    Artigo
    Ceramic crucibles: a new alternative for melting of PbO–BiO1.5–GaO1.5 glasses
    (Elsevier, 2002-07-10) Santos, Ieda Maria Garcia dos; Moreira, Rafael Carlos Martins; Souza, Antônio Gouveia de; Lebullenger, Ronan; Hernandes, Antônio Carlos; Leite, Edson Roberto; Paskocimas, Carlos Alberto; Silva, Elson Longo da
    PbO–Bi2O3–Ga2O3 glasses present interesting properties such as good transmission in the mid-infrared region, high magnetic Verdet constant and non-linear properties. The processing of these heavy-metal-oxide (HMO) glasses is limited by the high corrosive nature of the melt, even in relation to noble metal crucibles. In this work, three kinds of ceramic crucibles (alumina, tin oxide and zirconia) were tested for melting HMO glasses. The main physical properties of the prepared glasses, such as the characteristic temperatures, optical transmission were studied in function of the crucible nature, time/temperature melting parameters. The incorporation of crucible material in the glasses was determined by ICP and atomic absorption. Themaximumglass contamination fromthe crucible was 2.9, 1.6 and 3.6mol% forAl2O3, SnO2 and ZrO2 crucibles, respectively, whenmelting was done at 900 C/240min, for zirconia crucibles and at 1000 C/60 min, for the other two crucibles. The evolution of the physical properties was discussed as a function of contamination degree
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    Cerium molybdate nanocrystals: Microstructural, optical and gas- sensing properties
    (Elsevier, 2021-03-15) Oliveira, Fernanda Karine Fonseca; Santiago, Anderson de Azevedo Gomes; Catto, Anderson de Azevedo Gomes; Silva, Luís Fernando da; Tranquilin, Ricardo Luis; Silva, Elson Longo da; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio
    Metal molybdate compounds have attracted considerable attention due to their technological applications. Herein, we demonstrate the controllable synthesis of cerium molybdate (Ce2(MoO4)3) nanocrystals via the co-precipitation method followed by microwave-assisted hydrothermal (MAH) treatment at 150 C during different times (15, 30 and 60 min). The effect of MAH treatment time on the microstructural, optical, and ozone gas-sensing properties of these nanocrystals was investigated. X-ray diffraction (XRD) and Raman spectroscopy measurements revealed that the samples presented a single-crystalline phase with scheelite-type tetragonal structure. Field emission gun scanning electron microscopy (FEG-SEM) images showed that the MAH conditions favored changes in the Ce2(MoO4)3 nano crystal morphology. Photoluminescence (PL) measurements indicated a significant enhancement of PL emission with MAH time, suggesting an increase in the intrinsic defects formed during the MAH treatment. The gas-sensing performance of cerium molybdate nanocrystals towards sub-ppm ozone levels was also investigated. The experiments revealed complete recovery and good repeatability as well as good sensor response, which was improved in the sample synthesized at longer MAH time
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    Charge density alterations in human hair fibers: an investigation using electrostatic force microscopy
    (Society of Cosmetic Scientists and the Société Française de Cosmétologie, 2006-03-28) Longo, V. M.; Monteiro, V. F.; Pinheiro, A. S.; Terci, D.; Vasconcelos, J. S.; Paskocimas, Carlos Alberto; Leite, E. R.; Silva, Elson Longo da; Varela, A.
    A new method for high-resolution analyses of hair surface charge density under ambient conditions is presented in this paper. Electrostatic force microscopy (EFM) is used here to analyze changes in surface charge density in virgin hair, bleached hair, and hair treated with a cationic polymer. The atomic force microscopy technique is used concomitantly to analyze morphological changes in hair roughness and thickness. The EFM images depict exactly how the polymer is distributed on the surface of the hair fiber. The EFM’s powerful analytical tools enabled us to evaluate the varying degrees of interaction between the hair fiber surface charge density and the cationic polymer. The surface charge density and the polymer’s distribution in the hair fibers are presented in the light of EFM measurements
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    Color and structural analysis of CoxZn7−xSb2O12 pigments
    (Elsevier, 2006-11-09) Gouveia, Deiby Santos; Soledade, Luiz Edmundo Bastos; Paskocimas, Carlos Alberto; Silva, Elson Longo da; Souza, Antônio Gouveia de; Santos, Ieda Maria Garcia dos
    The polymeric precursor method was successfully used to synthesize CoxZn7−xSb2O12 (x = 0–7) powders. Pigments were evaluated using colorimetry, X-ray diffraction, UV–vis and infrared spectroscopy. The optical band gap values vary with the Co2+ substitution. These results suggest that the concomitant presence of Co and Zn in the spinel lattice leads to the rupture of the Végard law, as well as other properties of the studied system, such as unit cell volume. The Co-richer samples display a higher absorbance than the Co-lean samples. The high absorption of the Co7Sb2O12 sample at most of the visible region makes this compound a candidate for a black pigment. It was shown that color depends on the site where the chromophore ion is located, in agreement with the ligand field theory.
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    Artigo
    Computational procedure to an accurate DFT simulation to solid state systems
    (Elsevier, 2019-12) Gomes, Eduardo O.; Fabris, Guilherme da Silva Lopes; Ferrer, Mateus M.; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio; Andres, Juan; Silva, Elson Longo da; Sambrano, Júlio Ricardo
    The density functional theory has become increasingly common as a methodology to explain the properties of crystalline materials because of the improvement in computational infrastructure and software development to perform such computational simulations. Although several studies have shown that the characteristics of certain classes of materials can be represented with great precision, it is still necessary to improve the methods and strategies in order to achieve more realistic computational modeling. In the present work, strategies are reported in a systematic way for the accurate representation of crystalline systems. The crystalline compound chosen for the study as a case test was BaMoO4, both because of its potential technological application and because of the low accuracy of the simulations previously reported in the literature. The computational models were carried out with the B3LYP and WC1LYP functionals selected from an initial set containing eight hybrid functionals in conjunction with an all-electron basis set. Two different strategies were applied for improving the description of the initial models, both involving atomic basis set optimization and Hartree-Fock exchange percentage adjustment. The results obtained with the two strategies show a precision of structural parameters, band gap energy, and vibrational properties never before presented in theoretical studies of BaMoO4. Finally, a flowchart of good calculation practices is elaborated. This can be of great value for the organization and conduction of calculations in new research
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    Artigo
    Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation
    (Elsevier, 2020-04-15) Ribeiro, Renan Augusto Pontes; Oliveira, Marisa Carvalho de; Delmonte, Maurício Roberto Bomio; Lazaro, Sérgio Ricardo de; Andrés, Juan; Silva, Elson Longo da
    The surface morphology of the materials is known to have significant influence on the overall photocatalytic performance. Therefore, identifying the corresponding electronic structures associated with the surface redox centers is essential for the rational design of Ag2O-based photocatalysts. In this study, comprehensive and sys- tematic theoretical calculations revealed the connection between electronic structure and morphology responsible for the photo-induced mechanism. First-principles calculations showed that the activity of Ag+ cations on the exposed surfaces is dependent of their local coordination and electronic configuration. Electrons were found to migrate to the energetically favorable (1 1 1) surface, while holes are concentrated in the more unstable (1 0 0) and (1 1 0) surfaces. The complete set of available morphologies was obtained, enabling us to rationalize the photocatalytic activity in terms of composition, geometry, and electronic structure of the exposed surfaces. Moreover, the localization and characterization of excited electronic states of both bulk material and exposed surfaces allow us to discuss the fundamental reactions involved in the photocatalytic mechanism underlying the morphological evolution and would promote significantly the development and application of singlet-triplet mechanism. The detailed insights provided by our work could benefit the design and preparation of new efficient photocatalysts based on Ag2O
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    Connecting theory with experiment to understand the photocatalytic activity of CuO–ZnO heterostructure
    (Elsevier, 2020-05) Oliveira, Marisa Carvalho de; Fonseca, V. S.; Andrade Neto, Nivaldo Ferreira da; Ribeiro, Renan Augusto Pontes; Silva, Elson Longo da; Lazaro, Sérgio Ricardo de; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio
    Semiconductor based photocatalysis attracts wide attention because of its ability to directly utilize solar energy to degrade pollutants and convert energy, with heterojunction photocatalysts being good candidates for superior activity due to the spatial separation of photogenerated electron–hole pairs. Herein, CuO/ZnO heterostructures were successfully synthesized by a microwave-assisted hydrothermal method, with the structure, electronic and photocatalytic properties analyzed by means of experimental and theoretical methods. The X-ray diffraction patterns revealed that a CuO/ZnO heterostructure was formed, while FE-SEM analysis indicates the role of different morphologies for CuO, ZnO and CuO/ZnO heterostructures. The solar-driven photocatalytic mea-surements combined with DFT calculations indicate that CuO, as a p-type and narrow band-gap sensitizer, can make the n-type ZnO respond to visible light and promote the separation of photogenerated charge carriers by building a p-n heterogeneous structure. As a result, the CuO/ZnO heterostructure shows good promise for solar-driven photodegradation
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    Desenvolvimento do pigmento condutor SnO2-Sb2O3 e sua aplicação em vidrados semicondutores
    (ABCERAM, 2004-04) Aguiar, R.; Paskocimas, Carlos Alberto; Leite, Edson Roberto; Silva, Elson Longo da; Delmonte, Maurício Roberto Bomio
    Esmaltes semicondutores são utilizados no recobrimento de isoladores elétricos para evitar descargas superficiais nos isoladores, associadas a grandes diferenças de potencial, proporcionando uma melhora no desempenho sob poluição ambiental. Como os vidrados utilizados nas indústrias cerâmicas são isolantes, uma maneira de torná-los semicondutores é adicionando óxidos condutores. Misturou-se ao esmalte porcentagens variadas do pigmento condutor SnO2 dopado com 5% de Sb2O3. O esmalte foi aplicado sobre peças de porcelana a verde e queimado a 1250 0C. Por microscopia eletrônica de varredura verificou-se que a concentração de pigmento na superfície das amostras é baixa e não influencia a condutividade elétrica. Na fratura, a porcentagem de pigmento ficou próxima de 35%. Assim, a superfície ficou com aspecto visual de ótima qualidade. A resistividade elétrica ocorreu pelo interior do vidrado, obtendo-se valores próximos de 104 Ohm.m
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    Development of metal oxide nanoparticles by soft chemical method
    (Elsevier, 2009-01) Bernardi, Maria Inês Basso; Feitosa, C.A.C.; Paskocimas, Carlos Alberto; Silva, Elson Longo da; Paiva-Santos, Carlos de Oliveira
    An extensive work for the study of SnO2 samples doped with x-mol% of Sb (x = 0, 6, 10, 14 and 18) is reported. The materials were prepared by the polymeric precursor method (Pechini method), calcined for 4 h between 800 8C and 1200 8C. The Rietveld method with X-ray diffraction data (XRD) was used to analyze the unit cell dimensions, crystallite size and microstrain. It was observed the crystallite size increasing and decrease of the microstrain with the increase of the calcining temperature. The synthesis of tin oxide nanoparticles with high thermal stability against particle growth rate was achieved by doping SnO2 particles with Sb2O3. All the phases tend to have the same dimension when the temperature increases, although its values varies with x and reaches the maximum value when fired at 1100 8C. These variations seem to be an indication that the oxidation state of the antimony changes with the amount of Sb added to the material
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    Disclosing the structural, electronic, magnetic, and morphological properties of CuMnO2: a unified experimental and theoretical approach
    (American Chemical Society, 2020-02-14) Santiago, Anderson de Azevedo Gomes; Tranquilin, Ricardo Luis; Oliveira, Marisa Carvalho de; Ribeiro, Renan Augusto Pontes; Lazaro, Sérgio Ricardo de; Corrêa, Marcio Assolin; Bohn, Felipe; Silva, Elson Longo da; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio
    Precise control of the overall performance for solid-state materials is associated with morphological modulations which provide an alternative way to the rational design based on understanding the corresponding electronic structures of the exposed surfaces. Experimental and theoretical efforts were combined herein to elucidate the structural−property relationship of CuMnO2 nanoparticles from different morphologies. The microwave-assisted hydrothermal method was employed to synthesize these crystals with different morphologies, while first-principle quantum mechanical calculations were performed at the DFT level to obtain the structural, electronic, and magnetic properties of CuMnO2 surfaces. Our structural results have confirmed a monoclinic structure for crednerite-type CuMnO2 nanoparticles described by the Jahn−Teller-distorted octahedral [MnO6] clusters, which are connected by linear 2-fold [CuO2]. FE-SEM images combined with Wulff construction analyses indicated that CuMnO2 nanoparticles adopt a hexagonal nanoplate-like morphology which can enclose a major extent of the (100) surface with contributions from (101), (110), and (111) surfaces. Electronic structure and magnetic characterizations were discussed by the role of the corresponding electronic states of exposed surfaces which control the energy-level band diagram and spin density distribution. These results extend our fundamental understanding of the atomic processes which underpin the morphological modulations of the CuMnO2 material, thus creating a new path to obtain selected nanoparticles with desirable properties which optimize their applications
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    Efeito da adição de rejeito na redução de coração negro em cerâmicas vermelhas
    (ABCERAM, 2005) Santos, Ieda Maria Garcia dos; Silva, J. M.; Trindade, M. F. S.; Soledade, Luiz Edmundo Bastos; Souza, Antônio Gouveia de; Paskocimas, Carlos Alberto; Silva, Elson Longo da
    Um dos problemas que afeta a indústria cerâmica é a elevada perda de produtos acabados, decorrente do próprio processamento, levando a trincas e peças fora de conformidade. Deste modo, é necessário o reaproveitamento desses resíduos, como forma de reduzir o impacto ambiental. Neste trabalho, os resíduos de duas indústrias de cerâmica vermelha foram moídos e adicionados à própria massa, levando, também, a um ganho econômico. As porcentagens variaram de 10% a 30%, em peso. As peças foram conformadas por extrusão e sinterizadas a 950 ºC e 1000 ºC. Os resultados obtidos mostram que a adição levou a uma melhoria nas propriedades das amostras, pois diminuem a possibilidade de ocorrência de coração negro, levando a peças mais uniformes e menos porosas.
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    Effect of Ag clusters doping on the photoluminescence, photocatalysis and magnetic properties of ZnO nanorods prepared by facile microwave-assisted hydrothermal synthesis
    (Springer, 2017-04-13) Souza, Renata Priscilla de Araújo; Motta, Fabiana Vilella da; Nascimento, José Heriberto Oliveira do; Delmonte, Maurício Roberto Bomio; Borges, Filipe Martel de Magalhães; Corrêa, Marcio Assolin; Silva, Elson Longo da; Li, Maximo Siu; Bohn, Felipe; Paskocimas, Carlos Alberto
    We report a chemical route to synthesize stabilized ZnO:Ag nanoparticles (NPs) combined with nanosized metallic Ag using microwave-assisted hydrothermal synthesis. We employ X-ray diffraction (XRD), field emission guns scanning electron microscopy, transmission electron microscopy, spectrophotometry, photodegradation, photoluminescence and magnetic characterizations to investigate the structural, morphological, photocatalytic and magnetic properties of ZnO:Ag samples with different Ag concentrations. We verify through XRD results the standard wurtzite crystalline phases and face-centered cubic for metallic Ag NPs. Moreover, we confirm through spectrophotometry the photocatalysis in the samples. The Ag clusters doping the pure material causes the shift from green to yellow-red, which are lower energy wavelengths, thus corroborating changes of its electrical properties due to the decreased gap. We interpret the magnetic properties in terms of the nanosizing and similar effects. Under these conditions, we show the improvement of the photocatalytic and magnetic properties of ZnO NPs
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    Effect of calcium on the structural properties of Ba(1−x)Ca x TiO3 particles synthesized by complex polymerization method
    (Springer, 2014-01-14) Araújo, Vinícius Dantas; Motta, Fabiana Villela da; Marques, Ana Paula de Azevedo; Paskocimas, Carlos Alberto; Delmonte, Maurício Roberto Bomio; Silva, Elson Longo da; Varela, José A.
    Ferroelectric materials, such as barium titanate (BaTiO3), have been extensively studied for application in electronic and optical devices. The substitution of Ba by Ca is an effective method to improve the piezoelectricity temperature stability, as it can greatly lower the tetragonal–orthorhombic phase transition temperature, whereas the change of the Curie point is negligible. Ba(1−x)Ca x TiO3 (x = 0, 0.05, 0.10, 0.15, and 0.20) powders were prepared by complex polymerization method. The effect of calcium on the tetragonality of the BaTiO3 system was monitored using basic characterization techniques: X-ray diffraction, differential scanning calorimetry, and Raman spectroscopy. The results indicate that increased calcium contents raise the Curie temperature (T c) and that the addition of calcium in the BT matrix reduces tetragonality
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    Effect of different starting materials on the synthesis of Ba0.8Ca0.2TiO3
    (SpringerOpen, 2015-01-31) Medeiros, P. N.; Araújo, Vinícius Dantas de; Marques, Ana Paula de Azevedo; Tranquilin, Ricardo Luis; Paskocimas, Carlos Alberto; Delmonte, Maurício Roberto Bomio; Varela, José A.; Silva, Elson Longo da; Motta, Fabiana Villela da
    Literature has reported the synthesis of barium calcium titanates by various synthesis methods such as solid state reaction, co-precipitation and polymer precursors. These compounds are usually obtained using calcium carbonate (CaCO3), barium carbonate (BaCO3) and titanium oxide as starting materials. This study investigated the effect of different starting reagents on the synthesis of Ba0.8Ca0.2TiO3 (BCT) by complex polymerization method (CPM). Two sets of starting precursors were used: titanium citrate, CaCO3 and BaCO3, and titanium citrate and Ba1−x Ca x CO3 solid solution precursor. Samples were crystallized at a temperature range from 400 °C to 700 °C for different time. The obtained powders were characterized by X-ray diffraction (XRD), thermogravimetry (TG) and differential thermal analysis (DTA), and Raman and infrared spectroscopy. The infrared spectroscopy indicated that the chelation processes of Ba, Ca, Ti and CA ions are very similar. The results showed that the use of CaCO3 and BaCO3 or Ba1−x Ca x CO3 solid solution as precursors does not affect the final properties of BCT powders obtained by CPM
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    Effect of polyvinyl alcohol on the shape, photoluminescence and photocatalytic properties of PbMoO4 microcrystals
    (Elsevier, 2014-10) Araújo, Vinícius Dantas; Tranquilin, Ricardo Luis; Motta, Fabiana Villela da; Paskocimas, Carlos Alberto; Bernardi, Maria Inês Basso; Cavalcante, L.S.; Andres, Juan; Silva, Elson Longo da; Delmonte, Maurício Roberto Bomio
    For this study, lead molybdate (PbMoO4) microcrystals were prepared by the co-precipitation method and processed using a conventional hydrothermal method at 100 °C for 10 min with polyvinyl alcohol (PVA) as the capping agent. These microcrystals were structurally characterized by X-ray diffraction (XRD) and micro-Raman spectroscopy, and their morphology was investigated by field-emission gun scanning electron microscopy (FEG-SEM). The optical properties were analyzed by ultraviolet–visible (UV–vis) absorption spectroscopy and photoluminescence (PL) measurements. XRD patterns and MR spectrum indicate that the PbMoO4 microcrystals have a scheelite-type tetragonal structure. FE-SEM images reveal that the PVA promotes the aggregation of several octahedrons and the formation of large porous stake-like PbMoO4 microcrystals which are related to the oriented attachment growth process. Moreover, the effect of the capping agent hinders the growth of a large amount of micro-octahedrons which can be verified with by several nanocrystals on large crystals. Intense green PL emission was observed at room temperature for PbMoO4 microcrystals which are related to structural defects at medium range and intermediary energy levels between the valence band (VB) and the conduction band (CB). Photocatalytic activity was observed for PbMoO4 as a catalyst in the degradation of the rhodamine B (RhB) dye, achieving total degradation after 90 min under UV-light
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    Effect of sintering parameters using the central composite design method, electronic structure and physical properties of yttria-partially stabilized ZrO2 commercial ceramics
    (Sciendo, 2017-02-24) Paskocimas, Carlos Alberto; Mendes, A. M.; Nascimento, Maria Carolina Burgos Costa do; Araújo, V. D.; Motta, Fabiana Villela da; Acchar, Wilson; Silva, Elson Longo da; Delmonte, Maurício Roberto Bomio; Cavalcante, L. S.
    In this work, the effect of sintering parameters on electronic structure and physical properties of yttria-partially stabilized ZrO2 (YPSZ) commercial ceramics has been studied using the central composite design (CCD) method. The CCD method allows using empirical modelling with better fitting, by considering the interaction between both factors. Different temperature ranges and sintering times for processing of YPSZ ceramics have been used in order to evaluate the grain growth, hardness and volumetric shrinkage by the CCD method. X-ray diffraction patterns and Rietveld refinement data indicate that non-sintered YPSZ ceramics exhibits two phases related to tetragonal and monoclinic structures, while the sintered YPSZ ceramics exhibits a single phase related to a tetragonal structure. Moreover, the monoclinic structure presents zirconium (Zr) atoms coordinated to seven oxygen (O) atoms, while in the tetragonal structure Zr atoms are coordinated to eight O atoms. Field emission scanning electron microscopy images were employed to monitor the sintering and growth process. In addition, the response surfaces obtained from calculations presented the effect of thermal and kinetic variables on the physical properties such as average grain size, volumetric shrinkage and hardness of YPSZ ceramics
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    Effect of temperature on ultrasonic spray pyrolysis method in zinc tungstate: the relationship between structural and optical properties
    (Elsevier, 2021-01-15) Santiago, Anderson de Azevedo Gomes; Tranquilin, Ricardo Luis; Li, Maximo Siu; Silva, Elson Longo da; Motta, Fabiana Villela da; Delmonte, Maurício Roberto Bomio
    Zinc tungstate is an inorganic material which shows immense potential in diverse areas such as photoluminescence, sodium-ion batteries, and catalysis. Thus, the synthesis and characterization of ZnWO4 by ultrasonic spray pyrolysis using different heat treatments (between 750 °C and 1000 °C) is reported herein. X-ray diffraction and Raman spectroscopy were used to confirm the formation of the ZnWO4 with wolframite-type monoclinic structure. Scanning electron microscopy images revealed that the ZnWO4 particles have a microsphere-like morphology formed by the junction of different nanocrystals and its surface changed by heat treatment. The bandgap energies had a small variation among the samples (3.88 eV–3.98 eV). The photoluminescence emission of the samples showed a broadband spectrum with white light, in which structural alterations occurred with the increase in the heat treatment, which also increased the emission intensity and broadband. The samples synthesized at 950 °C and 1000 °C showed to be promising warm- and neutral-white light emission sources
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