Listar por autoría "cc694db8-ae9b-4415-86d3-c5c3ec5d82a8"

Mostrando ítems 1-4 de 4

    • openAccess   Computational procedure to an accurate DFT simulation to solid state systems 

      Gomes, Eduardo O.; da Silva Lopes Fabris, Guilherme; Ferrer, Mateus M.; Motta, Fabiana Villela; Bomio, Mauricio; Andres, Juan; Longo, Elson; Sambrano, Julio Elsevier (2019-12)
      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 ...

    • openAccess   Connecting the surface structure, morphology and photocatalytic activity of Ag2O: An in depth and unified theoretical investigation 

      Ribeiro, Renan; Carvalho de Oliveira, Marisa; Bomio, Mauricio; de Lazaro, Sergio Ricardo; Andres, Juan; Longo, Elson Elsevier (2020-04-15)
      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 ...

    • openAccess   First principle investigation of the exposed surfaces and morphology of β-ZnMoO4 

      Ribeiro, Renan; Carvalho de Oliveira, Marisa; Gama de Sousa, Alexsandro; Bomio, Mauricio; Motta, Fabiana Villela; Gracia, Lourdes; de Lazaro, Sergio Ricardo; Longo, Elson; Andres, Juan AIP Publishing (2019-12-17)
      Crystal shape is a critical determinant of the physical and chemical properties of crystalline materials; hence, it is the challenge of controlling the crystal morphology in a wide range of scientific and technological ...

    • openAccess   Understanding the White-Emitting CaMoO4 Co-Doped Eu3+, Tb3+, and Tm3+ Phosphor through Experiment and Computation 

      Tranquilin, R. L.; Lovisa, L. X.; Almeida, C. R. R.; Paskocimas, Carlos Alberto; Li, Maximo Siu; Oliveira, M. C.; Gracia, Lourdes; Andres, Juan; Longo, Elson; Motta, F. V.; Bomio, Mauricio American Chemical Society (2019-07-09)
      In this article, the synthesis by means of the spray pyrolysis method, of the CaMoO4 and rare-earth cation (RE3+)-doped CaMoO4:xRE3+ (RE3+ = Eu3+, Tb3+, and Tm3+; and x = 1, 2, and 4% mol) compounds, is presented. The ...