Predicted Superconductivity in the Electride Li5C Abstract: Superconductivity under pressure is a very important research path for finding new superconductors, and electrides have been shown to present superconductivity under pressure. In the present work, using […]
Surfactant-Mediated Morphology and Photocatalytic Activity of alpha-Ag2WO4 Material Abstract: In the present work, the morphology (hexagonal rod-like vs cuboid-like) of an alpha-Ag2WO4 solid-state material is manipulated by a simple controlled-precipitation method, with and without the presence […]
Structural and optical properties of a mechanically alloyed thermoelectric lamellar SnSeS solid solution Abstract: A chalcogenide SnS2-xSex alloy with x = 1, synthesized by high-energy mechanical alloying, was characterized by high-resolution transmission electron microscopy, X-ray […]
Tb3+/Pr3+ co-doped ZnMoO4 phosphor with tunable photoluminescence and energy transfer processes Abstract: ZnMoO4:Tb3+, Pr3+ particles in different Tb:Pr ratios (2:0, 1.5:0.5, 1:1, 0.5:1.5 and 0:2) were synthesized by the sonochemical method. These materials were characterized […]
Adsorption of NH3 with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study Abstract: NH3 adsorption with different coverages on single-walled armchair and zigzag ZnO nanotubes (ZnONT) has been studied via periodic computational simulations at […]
Structural, morphological and optical investigation of beta-Ag2MoO4 microcrystals obtained with different polar solvents Abstract: This communication reports the formation of beta-silver molybdate (beta-Ag2MoO4) microcrystals synthesized by a simple precipitation method using different polar solvents (water, methanol, […]
Photoluminescence of BaZrO3 explained by a order/disorded transformation Abstract: A hydrothermal (HTMW) microwave method was used to synthesize ordered-disordered BaZrO3 (BZ) nanoparticles at temperature of 140 A degrees C with times ranging from 15 min to […]
Structural, Electronic, Vibrational, and Topological Analysis of Single-Walled Zinc Oxide Nanotubes Abstract: Single-walled armchair and zigzag ZnO nanotubes (SWZnONTs) have been studied via periodic computational simulations based on density functional theory with the B3LYP, HSE06, PBE0, […]
Writers: R. C. de Oliveira, L. Gracia, M. Assis, M. Siu Li, J. Andres, E. Longo and L. S. Cavalcante Keywords: crystals; electronic structure; optical properties Abstract: This work combines experimental and computational techniques to exploit the best of both methodologies […]
Writers: Regiane Cristina de Oliveira, Marcelo Assis, Mayara Mondego Teixeira, Maya Dayana Penha da Silva, Máximo Siu Li, Juan Andres, Lourdes Gracia, and Elson Longo Keywords: nanoparticles; crystals Abstract: This article aims to gather together in one place […]
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