Search Results - "Lazaro, Sergio R."

Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles by Manjunatha, K., Jagadeesha Angadi, V., Ribeiro, Renan A.P., Longo, Elson, Oliveira, Marisa C., Bomio, Mauricio R.D., de Lázaro, Sergio R., Matteppanavar, Shidaling, Rayaprol, S., Babu, P.D., Pasha, Mahaboob

“…•Mn0.5Zn0.5Cr2O4 nanoparticles were synthesized by solution combustion method.•Structural, electronic and magnetic properties are discussed using DFT.•Magnetic…”
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The antibacterial activity of p-tert-butylcalix[6]arene and its effect on a membrane model: molecular dynamics and Langmuir film studies by Wrobel, Ellen C, de Lara, Lucas S, do Carmo, Taiza A S, Castellen, Patrícia, Lazzarotto, Márcio, de Lázaro, Sérgio R, Camilo, Jr, Alexandre, Caseli, Luciano, Schmidt, Rolf, DeWolf, Christine E, Wohnrath, Karen

“…The antibacterial activity of a calixarene derivative, p-tert-butylcalix[6]arene (Calix6), was assessed and was shown not to inhibit the growth of E. coli, S…”
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Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations by Oliveira, Marisa C., Ribeiro, Renan A. P., Longo, Elson, Bomio, Maurício R. D., Motta, Fabiana V., Lazaro, Sergio R.

“…Identifying the forces that drive a temperature‐induced phase transition is always challenging in the prospect of the first‐principles methods. Herein, we…”
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Enhancing hydrothermal formation of α-MnO2 nanoneedles over nanographite structures obtained by electrochemical exfoliation by Marciniuk, Gustavo, Ferreira, Rodolfo T, Pedroso, Alex V, Ribas, Ariane S, Ribeiro, Renan A P, de Lázaro, Sérgio R, de Souza, Eder C F, Marchesi, Luis F Q, Garcia, Jarem R

“…Design and production of α-MnO 2 structures over carbonaceous material is considered as potential strategy for improving electrochemical performance of…”
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Ba-DOPED ZnO MATERIALS: A DFT SIMULATION TO INVESTIGATE THE DOPING EFFECT ON FERROELECTRICITY by Lacerda, Luis H. da S., Lazaro, Sergio R. de

“…ZnO is a semiconductor material largely employed in the development of several electronic and optical devices due to its unique electronic, optical, piezo-,…”
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Theoretical investigations of the bulk modulus in the tetra-cubic transition of PbTiO3 material by Renan A. P. Ribeiro, Sergio R. de Lázaro

“…Resulting from ion displacement in a solid under pressure, piezoelectricity is an electrical polarization that can be observed in perovskite-type electronic…”
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Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism by Jagadeesha Angadi, V., Manjunatha, K., Oliveira, Marisa C., Longo, Elson, de Lázaro, Sergio R., Ribeiro, Renan A.P., Bhat, S.V.

“…[Display omitted] •We have prepared CoCr2-yScyO4 nanoparticles with shape-selective control of nanomagnetism.•Singular magneto-structural behavior was observed…”
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Unconventional Disorder by Femtosecond Laser Irradiation in Fe2O3 by Souza, Josiane C, Ribeiro, Renan A. P, G. da Trindade, Letícia, Oliveira, Regiane C. de, D. Costa, Leonardo, C. de Oliveira, Marisa, de Lazaro, Sergio R, Sambrano, Julio R, Mendonça, Cleber R, de Boni, Leonardo, L. Pontes, Fenelon M, de Oliveira, Adilson J. A, Leite, Edson R, Longo, Elson

“…This paper demonstrates that femtosecond laser-irradiated Fe2O3 materials containing a mixture of α-Fe2O3 and ε-Fe2O3 phases showed significant improvement in…”
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Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca 10 V 6 O 25 by Teixeira, Mayara Mondego, de Oliveira, Regiane Cristina, Oliveira, Marisa Carvalho, Pontes Ribeiro, Renan Augusto, de Lazaro, Sergio R, Li, Máximo Siu, Chiquito, Adenilson J, Gracia, Lourdes, Andrés, Juan, Longo, Elson

“…In this paper, we present a combined experimental and theoretical study to disclose, for the first time, the structural, electronic, and optical properties of…”
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Atomistic Perspective on the Intrinsic White-Light Photoluminescence of Rare-Earth Free MgMoO4 Nanoparticles by Santiago, Anderson A. G, Oliveira, Marisa C, Ribeiro, Renan A. P, Tranquilin, Ricardo L, Longo, Elson, de Lázaro, Sergio R, Motta, Fabiana V, Bomio, Mauricio R. D

“…Intrinsic white-light photoluminescent rare-earth free materials are promising candidates in the field of environment-friendly optical devices. They are…”
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Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25 by Teixeira, Mayara Mondego, de Oliveira, Regiane Cristina, Oliveira, Marisa Carvalho, Pontes Ribeiro, Renan Augusto, de Lazaro, Sergio R, Li, Máximo Siu, Chiquito, Adenilson J, Gracia, Lourdes, Andrés, Juan, Longo, Elson

“…In this paper, we present a combined experimental and theoretical study to disclose, for the first time, the structural, electronic, and optical properties of…”
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Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties by Oliveira, Marisa C., Ribeiro, Renan A. P., Longo, Elson, Bomio, Mauricio R. D., Lázaro, Sergio R.

“…The structural, electronic, and vibrational properties of two leading representatives of the Zn‐based spinel oxides class, normal ZnX2O4 (X = Al, Ga, In) and…”
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Neutron diffraction studies of Fe-substituted Mn2O3 by Nikam, Ravindra, Kurawle, Nilofar, Borole, Smita, Ribeiro, Renan A. P., Lazaro, Sergio R., Rayaprol, Sudhindra

“…A series of Mn 2− x Fe x O 3 ( x  = 0.0 – 1.0) compounds have been studied for their nuclear and magnetic structure using neutron diffraction experiments. All…”
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Integration of experiment and computational modeling on the Tb doping process in CaMoO4 obtained by USP method: An efficient way to obtain photoluminescent materials by Tranquilin, Ricardo L, Oliveira, Marisa Carvalho, Santiago, Anderson A G, Lovisa, Laura X, Ribeiro, Renan A P, Longo, Elson, de Lazaro, Sergio R, Almeida, Cláudio R R, Paskocimas, Carlos A, Motta, Fabiana V, Bomio, Mauricio R D

“…In this paper, we present a combined experimental and theoretical study to disclose, the structure, electronic and optical properties of CaMoO 4 :xTb 3+ ( x =…”
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WO3 nanostructures produced from tungsten welding electrode scraps: Temperature influence on optical and morphological characteristics by Leite, João M.A., Lacerda, Luis H.da S., Marciniuk, Gustavo, Ferreira, Rodolfo T., do Nascimento, Josias do R.V., Matsushita, Alan F.Y., de Lazaro, Sérgio R., Souza, Éder C.F., Garcia, Jarem R.

“…Methods to produce WO3 nanostructures have become important due to the possibility of using this material in a wide range of technological applications. In…”
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Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study by Ribeiro, Renan A.P., Andrés, Juan, Longo, Elson, Lazaro, Sergio R.

“…•Polar and non-polar surfaces of MnTiO3 multiferroic materials were investigated from DFT calculations.•Wulff construction and spin analysis were combined to…”
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Magnetism and DFT calculations for understanding magnetic ground state of Fe doped Mn2O3 by Ribeiro, Renan A.P., Oliveira, Marisa C., Longo, Elson, de Lazaro, Sergio R., Nikam, R., Goyal, P.S., Radha, S., Rayaprol, S.

“…•Mn2−xFexO3 (x = 0; 0.20; 0.50; 0.75) samples were synthesized by mechanochemical synthesis method.•Structural and magnetic properties of Mn2−xFexO3 were…”
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Experimental and theoretical interpretation of magnetic ground state of FeMnO3 by Rayaprol, S., Ribeiro, Renan A.P., Singh, Kiran, Reddy, V.R., Kaushik, S.D., de Lazaro, Sergio R.

“…Magnetic structure of FeMnO3 has been studied using temperature dependent neutron diffraction measurements. The compound exhibits ferrimagnetic structure at…”
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Temperature dependence on phase evolution in the BaTiO 3 polytypes studied using ab initio calculations by Oliveira, Marisa C., Ribeiro, Renan A. P., Longo, Elson, Bomio, Maurício R. D., Motta, Fabiana V., de Lazaro, Sergio R.

“…Identifying the forces that drive a temperature‐induced phase transition is always challenging in the prospect of the first‐principles methods. Herein, we…”
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Presence of excited electronic states on terbium incorporation in CaMoO4: Insights from experimental synthesis and first-principles calculations by Tranquilin, Ricardo L., Oliveira, Marisa C., Santiago, Anderson A.G., Lovisa, Laura X., Ribeiro, Renan A.P., Longo, Elson, de Lazaro, Sergio R., Almeida, Cláudio R.R., Paskocimas, Carlos A., Motta, Fabiana V., Bomio, Mauricio R.D.

“…We present a combined experimental and theoretical study to understand the structure and electronic and optical properties of CaMoO4:xTb3+ (x = 1 mol%, 2 mol%,…”
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