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Controlling the formation of sodium/black phosphorus intercalated compounds towards high sodium content

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Controlling the formation of sodium/black phosphorus intercalated compounds towards high sodium content

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dc.contributor.author	Werbach, Katharina
dc.contributor.author	Neiss, Christian
dc.contributor.author	Müllner, Alexander
dc.contributor.author	Abellán Sáez, Gonzalo
dc.contributor.author	Setman, Daria
dc.contributor.author	Lloret, Vicent
dc.contributor.author	Wild, Stefan
dc.contributor.author	Hauke, Frank
dc.contributor.author	Pichler, Thomas
dc.contributor.author	Hirsch, Andreas
dc.contributor.author	Peterlik, Herwig
dc.date.accessioned	2021-06-22T11:02:32Z
dc.date.available	2021-06-23T04:45:05Z
dc.date.issued	2021	es_ES
dc.identifier.citation	Abellán Sáez, Gonzalo, et. al. 2021. Controlling the formation of sodium/black phosphorus intercalated compounds towards high sodium content.	es_ES
dc.identifier.uri	https://hdl.handle.net/10550/79793
dc.description.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.	es_ES
dc.language.iso	en	es_ES
dc.title	Controlling the formation of sodium/black phosphorus intercalated compounds towards high sodium content	es_ES
dc.type	journal article	es_ES
dc.subject.unesco	UNESCO::QUÍMICA	es_ES
dc.identifier.idgrec	147207	es_ES
dc.accrualmethod	-	es_ES
dc.embargo.terms	0 days	es_ES
dc.relation.projectID	PNICTOCHEM 804110 (G.A.)	es_ES
dc.relation.projectID	PID2019-111742-GA-I00	es_ES
dc.relation.projectID	CIDEGENT/2018/001	es_ES