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issue 5
723-724
EN
The electron structure of Al containing Y-hexaferrite that exhibits the giant magnetoelectricity is calculated. Results show strong preference of Al for octahedral sites. Orbital moment of some of the iron ions is found to be unusually large.
EN
Structure of vanadium-doped lithium disilicate, Li_{2}Si_{2}O_{5} (Ccc2 space group) is studied. This crystalline phase is obtained by annealing of the doped lithium disilicate glass for 4 h at 550°C. X-ray diffraction and X-ray absorption near-edge structure analysis indicate location of vanadium atoms at Si sites. the lattice parameters are found to increase isotropically with increasing vanadium content. the valency of vanadium ions is discussed on the basis of X-ray absorption near-edge structure results.
EN
Lithium amide (LiNH_{2}) and imide (Li_{2}NH) have recently attracted much attention as part of the Li-H-N system suitable for hydrogen (H) storage applications. However, the ground-state imide structure is still unknown with at least six candidate structures, with ground state energies all very close to one another. In order to discover possible pathways for the imide-amide-imide transformations during the hydrogen absorption/desorption cycles, we have examined the molecular structures involved (along with their changes during these processes) using ab-initio calculations based on the linear combination of atomic orbitals (LCAO). In addition, the influence of Li substitution by some other elements of interest on the system behaviour was investigated. These analyses were complemented by density functional theory (DFT) calculations of several crystal structures appearing in the processes. In this way a thorough insight into the structures and the processes taking place at atomic level is attained, providing a starting point for understanding these complicated systems, and the mechanisms governing their transformations.
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Solid State Ion Exchange Reactions of Co with Zeolites

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EN
Co cations were introduced into ZSM5 and faujasite type zeolites by solid state ion exchange. On both types of zeolites the solid state reaction led to an exchange of all protons. On ZSM5 one proton was exchanged with one Co^{2+} cation, while on the faujasite samples two protons were exchanged with one Co^{2+} cation. After the incorporation of cobalt two new Lewis acid sites were observed on the CoZSM5 and CoY samples.
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