1. Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content
- Author
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Katharina Werbach, Thomas Pichler, Daria Setman, Frank Hauke, Alexander R. M. Müllner, Gonzalo Abellán, Christian Neiss, Vicent Lloret, Stefan Wild, Herwig Peterlik, and Andreas Hirsch
- Subjects
Diffraction ,Materials science ,Sodium ,Intercalation (chemistry) ,Energy Engineering and Power Technology ,chemistry.chemical_element ,02 engineering and technology ,black phosphorus ,DFT calculations ,01 natural sciences ,symbols.namesake ,Electrochemistry ,intercalation compounds ,Electrical and Electronic Engineering ,sodium ,Ball mill ,010405 organic chemistry ,Atmospheric temperature range ,021001 nanoscience & nanotechnology ,X-ray diffraction ,0104 chemical sciences ,chemistry ,Chemical engineering ,X-ray crystallography ,symbols ,0210 nano-technology ,Raman spectroscopy ,Stoichiometry ,ddc:547 - 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.
- Published
- 2021
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