Search Results - "Rodrigues, Aldimar Machado"

Understanding the optoelectronic and vibrational properties of MB 4 O 7 , using density functional theory, where M = Yb or Ce by Santos, Willian O., Dos Santos, Allan W.S., Ferreira, Fernanda Carla Lima, de Novais, Erico Raimundo Pereira, Rodrigues, Aldimar Machado, Frazão, Nilton Ferreira, de Lima Ferreira Novais, Andrea, do Nascimento Souza, Divanizia

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Revealing the intrinsic nature of Eu-doped lead phosphate: A study using density functional theory by Rodrigues, Aldimar Machado, Santos, Willian Oliveira, Rodrigues, Jocelia Silva Machado, de Novais, Erico Raimundo Pereira, de Oliveira, Glaura Caroena Azevedo, Novais, Andrea de Lima Ferreira, Souza, Divanizia do Nascimento

“…Eu3+-doped oxide glasses have received significant research interest due to their luminescent, photoluminescent, and radiation shielding properties, resulting…”
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Understanding the optoelectronic and vibrational properties of MB4O7, using density functional theory, where M = Yb or Ce by Santos, Willian O., Dos Santos, Allan W.S., Ferreira, Fernanda Carla Lima, de Novais, Erico Raimundo Pereira, Rodrigues, Aldimar Machado, Frazão, Nilton Ferreira, de Lima Ferreira Novais, Andrea, do Nascimento Souza, Divanizia

“…This work aims to use density functional theory (DFT) and density functional perturbation theory (DFPT) to study the structure, optoelectronics, phonon…”
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Lead phosphate glass Nd-doped by first principles calculations by dos Santos, Caroline Pereira, Santos, Willian Oliveira, Rodrigues, Jocelia Silva Machado, Ferreira, Fernanda Carla Lima, Souza, Divanizia do Nascimento, de Novais, Erico Raimundo Pereira, de Oliveira, Glaura Caroena Azevedo, Novais, Andrea de Lima Ferreira, Rodrigues, Aldimar Machado

“…[Display omitted] •Atomic and electronic properties were studied in a short-range crystal lattice.•Calculation of state density, energy bands and charge…”
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DFT and DFPT calculations of the structural, electronic, optical, vibrational and thermodynamic properties of silicon tetraborate by Santos, Willian Oliveira, Rodrigues, Aldimar Machado, de Novais, Erico Raimundo Pereira, Frazão, Nilton Ferreira, Novais, Andréa de Lima Ferreira, Souza, Divanizia do Nascimento

“…In this study, the structural, mechanical, electronic, optical vibrational, and thermodynamic properties of a new crystalline material, silicon tetraborate…”
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DFT calculations to investigate silver ions as a virucide from SARS-CoV-2 by Rodrigues, Jocelia Silva Machado, Rodrigues, Aldimar Machado, do Nascimento Souza, Divanizia, de Novais, Erico Raimundo Pereira, Rodrigues, Alzeir Machado, de Oliveira, Glaura Caroena Azevedo, de Lima Ferreira Novais, Andrea

“…The world has face the COVID-19 pandemic which has already caused millions of death. Due to the urgency in fighting the virus, we study five residues of free…”
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Structural and electronic properties of amorphous bismuth calcium borate from first-principle calculations by Duarte, Valdyster Shirley Santos, Rodrigues, Aldimar Machado, de Andrade-Filho, Tarciso Silva, Souza, Divanizia do Nascimento, de Novais, Erico Raimundo Pereira, Novais, Andréa de Lima Ferreira, de Oliveira, Glaura Caroena Azevedo

“…We investigatethe electronic and structural properties of two new amorphous materials, Bi 6 Ca 2 O 28 B 12 and Bi 6 Ca 2 O 28 B 11 :Tm, using density…”
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