Publications

Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content

Author(s)
Katharina Werbach, Christian Neiss, Alexander Müllner, Gonzalo Abellan, Daria Setman, Vicent Lloret, Stefan Wild, Frank Hauke, Thomas Pichler, Andreas Hirsch, Herwig Peterlik
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 degrees C-96 degrees 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.

Organisation(s)
Dynamics of Condensed Systems, Physics of Nanostructured Materials, Electronic Properties of Materials
External organisation(s)
Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), Universitat de València
Journal
Batteries & Supercaps
No. of pages
7
ISSN
2566-6223
DOI
https://doi.org/10.1002/batt.202100053
Publication date
03-2021
Peer reviewed
Yes
Austrian Fields of Science 2012
104005 Electrochemistry, 103018 Materials physics
Keywords
Portal url
https://ucris.univie.ac.at/portal/en/publications/controlling-the-formation-of-sodiumblack-phosphorus-intercalationcompounds-towards-high-sodium-content(c073604f-a07d-4b59-a1de-79a89d0d7c94).html