Titel
Controlling the Formation of Sodium/Black Phosphorus Intercalation Compounds Towards High Sodium Content
Christian Neiss
Lehrstuhl für Theoretische Chemie, Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU)
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Abstract
The solid-state synthesis of pure sodium-black phosphorus intercalation compounds (Na-BPICs) has been optimized in bulk for two stoichiometric ratios. Specifically, in-situ X-Ray diffraction (XRD) allowed the precise identification of the optimal temperature range for the formation of Na-BPICs: 94 °C–96 °C. Moreover, as the undesired formation of Na3P takes place at this very same range, we succeeded in introducing a new synthetic route based on a fast-thermal ball milling implementation that results in the bulk production of BPIC without Na3P in 9 out of 10 cases. Finally, by combining XRD, Raman spectroscopy, and DFT calculations we developed a new structural model for Na-based BPICs showing an increase of BP's unit cell with Na atoms incorporated in every second layer. These results will pave the way for the large-scale synthesis and application of pure BPICs, which are of great interest in fields such as optoelectronics or energy storage.
Stichwort
black phosphorusDFT calculationsintercalation compoundssodiumX-ray diffraction
Objekt-Typ
Sprache
Englisch [eng]
Persistent identifier
Erschienen in
Titel
Batteries & Supercaps
Band
4
Ausgabe
8
ISSN
2566-6223
Erscheinungsdatum
2021
Seitenanfang
1304
Seitenende
1309
Publication
Wiley
Erscheinungsdatum
2021
Zugänglichkeit
Rechte
Rechteangabe
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