Insights into the role of surface properties on the optical, electronic and nanoparticles morphology of scheelite BaMoO4 Abstract: Wide band gap semiconductors, such as barium molybdate (BaMoO4), remain to attract much interest due to their […]
Computational procedure to an accurate DFT simulation to solid state systems Abstract: The density functional theory has become increasingly common as a methodology to explain the properties of crystalline materials because of the improvement in […]
Abstract: 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 […]
On the morphology of BaMoO4 crystals: A theoretical and experimental approach Abstract: BaMoO4 crystals were obtained by a co-precipitation method, and their structures were characterized by X-ray diffraction and Rietveld refinement techniques. Field emission scanning […]
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