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 […]
Electro-Oxidation of Polyols on Bi-Modified Pt in Acidic Media (HClO4). Understanding Activity and Selectivity Trends Abstract: Herein we show that Pt(111) and Pt(100) can produce the ketone through the oxidation of the secondary carbon of […]
Surface-dependent properties and morphological transformations of rutile GeO2 nanoparticles Abstract: Recently, the knowledge of surface-dependent properties has attracted a lot of attention since it is crucial for materials functionalization based on the morphological control of […]
An accurate computational model to study the Ag-doping effect on SrTiO3 Abstract: Computational simulations via Density Functional Theory were carried out to study the effect of Ag-doping on SrTiO3 and its properties. For accurate results, […]
Hybrid exchange–correlation functionals for van der Waals TiSe2 material: Parametrization versus a posteriori D3 dispersion corrections Abstract: Superconductivity is one of the most interesting electrical phenomena found in Physical Science. The null electrical resistance provides […]
DFT Calculations for Structural, Electronic, and Magnetic Properties of ZnFe2O4 Spinel Oxide: The Role of Exchange-Correlation Functional Abstract: In this study, quantum-mechanical calculations in the framework of the Density Functional Theory (DFT) were performed to […]
Morphological transformations mapping of CaXO4 (X = Mo or W) and their surface stability Abstract: The knowledge about the mechanisms of the morphological control of nanoparticles (NPs) is directly correlated with the atomic configurations of […]
Inorganic graphenylene-like silicon carbide as anode material for Na batteries Abstract: Sodium-based batteries are a viable alternative due to the abundance of Na in the environment and their higher sustainability compared to traditional lithium batteries. […]
O trabalho “Strain-induced Multigap Superconductivity in Electrene Mo2N: A First Principles Study”, dos pesquisadores do Centro de Desenvolvimento de Materiais Funcionais (CDMF), Zenner S. Pereira, da Universidade Federal Rural do Semi-Árido (UFERSA) e Edison Z. […]
Unveiling the shape-selective CoCr2-yScyO4 nanomagnetism Abstract: In this study CoCr2-yScyO4 (y = 0, 0.01, 0.02, and 0.03) nanoparticles (NPs) have been synthesized following the solution combustion method and characterized by combining experimental techniques with high-throughput […]
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