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The Aurivillius oxides were originally of interest for their ferroelectric properties and have recently been explored in the field of oxide ion conductivity. Atomistic simulation methods have been carried out for Bi3TiNbO9, Bi4Ti3O12, BaBi4Ti4O15 and Ba2Bi4Ti5O18 doped with Pb, Al, Ga, In, Ta to determine defect energy in the materials by employing efficient energy minimization procedures. The calculations rest upon the specification of an interatomic potential model, which expresses the total energy of the system as a function of the nuclear coordinates. The Born model framework, which partitions the total energy into long‐range Coulombic interactions and a short‐range term to model the repulsions and van der Waals forces between electron charge clouds, is employed. This is embodied in the GULP simulation code. Dopant solution energy versus ion size trends are found for both isovalent and aliovalent dopant incorporation at Bi and Ta sites. Trivalent dopants (Al, Ga, In) and Pb are more favorable on the Bi site, whereas Ta dopants preferentially occupy the Ti site. 相似文献
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Sharifah Nurfadhlin Afifah Syed Azhar Siti Efliza Ashari Norhazlin Zainuddin Masriana Hassan 《Molecules (Basel, Switzerland)》2022,27(1)
Advanced hybrid component development in nanotechnology provides superior functionality in the application of scientific knowledge for the drug delivery industry. The purpose of this paper is to review important nanohybrid perspectives in drug delivery between nanostructured lipid carriers (NLC) and hydrogel systems. The hybrid system may result in the enhancement of each component’s synergistic properties in the mechanical strength of the hydrogel and concomitantly decrease aggregation of the NLC. The significant progress in nanostructured lipid carriers–hydrogels is reviewed here, with an emphasis on their preparation, potential applications, advantages, and underlying issues associated with these exciting materials. 相似文献
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Let (M, g) be an n-dimensional compact and connected Riemannian manifold of constant scalar curvature. If the sectional curvatures
of M are bounded below by a constant α > 0, and the Ricci curvature satisfies Ric < (n − 1)αδ, δ ≥ 1, then it is shown that
either M is isometric to the n-sphere Sn(α) or else each nonzero eigenvalue λ of the Laplacian acting on the smooth functions of M satisfies the following:
. 相似文献
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