Wegner, Florian and Kamm, Franziska and Pielnhofer, Florian and Pfitzner, Arno (2022) Li3As and Li3P revisited: DFT modelling on phase stability and ion conductivity. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 648 (11): e202100358. ISSN 0044-2313, 1521-3749
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Phase pure Li3As and Li3P were synthesized from the elements by a high temperature route. Crystal structures were refined from powder X-ray diffraction data. The title compounds were further characterized by difference thermal analysis, temperature dependent X-ray powder diffraction and impedance spectroscopy, proving unexpected Li ion conductivity for Li3As. High pressure behaviour of the title compounds was modeled via density functional theory, confirming the experimentally reported cubic modifications of Li3P and Li3As.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ; Li3As; Li3P; ion conductivity; impedance spectroscopy; DFT modeling |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Dec 2023 14:43 |
| Last Modified: | 05 Dec 2023 14:43 |
| URI: | https://pred.uni-regensburg.de/id/eprint/56930 |
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