Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor
In this work, we performed a first-principles investigation of the phase stability, dopant formation energy and Na+ conductivity of pristine and doped cubic Na3PS4 (c-Na3PS4). We show that pristine c-Na3PS4 is an extremely poor Na ionic conductor, and the introduction of Na+ excess is the key to ach...
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| Veröffentlicht in: | Chemistry of materials 2015-12, Vol.27 (24), p.8318-8325 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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