Determination of the position of a dopant by DFT analysis; solid-state syntheses of Zn3Nb2O8 doped with Eu3+
The present paper aims to provide an objective criterion for establishing the position of a dopant (Eu3+ ) in a given crystalline matrix (Zn3Nb2O8). Following the analysis of the general conditions, regarding the size of the doping ion correlated with the reticular distances and / or the size of the...
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| Dokumentumtípus: | Könyv része |
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University of Szeged
Szeged
2023
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| Sorozat: | Proceedings of the International Symposium on Analytical and Environmental Problems
29 |
| Kulcsszavak: | Elektrokémia |
| Tárgyszavak: | |
| Online Access: | http://acta.bibl.u-szeged.hu/82421 |
| Tartalmi kivonat: | The present paper aims to provide an objective criterion for establishing the position of a dopant (Eu3+ ) in a given crystalline matrix (Zn3Nb2O8). Following the analysis of the general conditions, regarding the size of the doping ion correlated with the reticular distances and / or the size of the coordination polyhedra, it remains to be established the concrete place that it will occupy, substitutional or interstitial. The criterion is based on the principle of minimum energy of the system, as a condition of existence of doped structure, which is why the method is applicable for a large variety of crystalline materials. |
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| Terjedelem/Fizikai jellemzők: | 207-210 |
| ISBN: | 978-963-306-963-9 |