Fe-doped AlN nanorods were studied by means of x-ray absorption spectroscopy above the Fe K- and L2,3- edges. Theoretical simulations of the x-ray absorption spectra show that Fe atoms mainly substitute Al. A minor fraction of Fe interstitials or Fe-Al-N ternary alloy can be identified as well. Bader’s AIM analysis predicts that neutral substitutional FeAl defect is in 2+ charge state, though Al in pure AlN is in 3+ charge state. Fe L2,3 absorption spectra and photoluminescence data indicate the coexistence of Fe2+/Fe3+ in AlN:Fe nanorods so different charge states of substitutional FeAl should co-exist.
Keywords: diversification of management, production diversification, financial and economic purposes of a diversification, technological purposes of ensuring flexibility of production
In this paper we study of the local atomic and electronic structure of nanostructured condensed material for rechargeable current sources on the basis of 15mas.%V2O5/Fe/LiF nanocomposite within charge-discharge cycle. Principle component analysis (PCA) of the series of Fe K-edge spectra collected during 1 st charge showing the concentrations of the components Fe, FeF2 and V[FeV]O4. We found the changes in the V oxidation state from the analysis of the experimental Fe K- and V K- XANES spectra. Total and partial density of states of components are presented.
Keywords: nanostructured materials for rechargeable current sources, dynamics of local atomic and electronic structures, XANES, DFT
This paper describes an in-situ experimental technique to study of ceria nanocatalysts by using X-ray absorption near edge spectroscopy XANES. This technique allows us to determine Ce3+ concentration inside ceria nanoparticles in the course of catalytic reaction based on the comparison and divergence minimization of the Ce L3 XANES spectrum of the ceria nanoparticles under catalysts (atmosphere, temperature) with a linear combination of two independent components corresponding to spectra of Ce4+ ion of the CeO2 structure and Ce3+ ion of the theoretical Ce2O3 structure. The calculated weight ratio determines the Ce3 + concentration in the sample during the catalytic reactions.
Keywords: in-situ X-ray absorption spectroscopy, HERFD, XAS, ceria nanoparticles, Ce-based catalysts, Ce3+ concentration
In this paper we study the dynamics of the local atomic structure of new nanostructured condensed material for for rechargeable current sources on the basis of 15mas.%V2O5/Fe/LiF nanocomposite within charge-discharge cycle on the basis of X-ray diffraction (XRD), X-ray absorption spectroscopy (XANES) and of computer simulation. The analysis of the experimental data obtained during the first charge cycle reveals the transformation of iron to more than 50% of iron fluoride (II) , Li ions intercalate into the structure of amorphous V2O5 forming LiVO2 compound.
Keywords: diversification of management, production diversification, financial and economic purposes of a diversification, technological purposes of ensuring flexibility of production
Combined method which allows analyzing parameters of the nanoscale atomic and electronic structure of materials relying on three different methods (x-ray absorption spectroscopy (XAFS), x-ray diffraction (XRD) and Raman spectroscopy) was developed. The method was applied for the study of nickel oxide nanoparticles, which serve as an efficient catalyst for the artificial photosynthesis process.
Keywords: solar energy, artificial photosynthesis, NiO, Raman, x-ray diffraction, XAFS