N.C.S.R. "Demokritos"

Research

Department of Materials Science

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Study of Biomaterials with Advanced EPR methods and Quantum Molecular Calculations

Our work concentrates on the study of silica, silica-calcium, and phosphosilicate mixed alkali glasses and spheres with EPR spectroscopic techniques, which include cw-EPR, pulse-EPR and ENDOR. Throughout EPR spectroscopy, we can have an insight in the representation of the alkali metal-ions. In this way, we may determine, in detail, the mixture of the metal ions but most essentially we can study the alkali ions mobility. The mobility of these ions is the key answer in the understanding of the mixed alkali effect and our study’s effect is to support this direction. Using molecular simulations we will try to image the above conclusions concerning alkali ions mobility and study them through quantum mechanics theory. For the simulations, we use DFT methods which determine EPR and NMR parameters.

Department of Materials Science, N.C.S.R. "Demokritos", 153 10 Aghia Paraskevi, Attiki, phone: +30 210 6503381, fax: +30 210 6519430
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