Lithium-filled skutterudites by intercalation at ambient-temperature

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Prado Gonjal, J., Vaqueiro, P. ORCID: https://orcid.org/0000-0001-7545-6262, Kowalczyk, R. M. ORCID: https://orcid.org/0000-0002-3926-6530, Smith, R. I. and Powell, A. V. (2023) Lithium-filled skutterudites by intercalation at ambient-temperature. Zeitschrift Fur Anorganische Und Allgemeine Chemie, 649 (17). e202300087. ISSN 0044-2313 doi: 10.1002/zaac.202300087

Abstract/Summary

The incorporation of lithium as a filler species in Co1-2xFexNixSb3 skutterudites was accomplished by intercalation at 60 C, using n-BuLi as a reducing agent. Solid state 7Li NMR and ICP-MS analysis confirm the presence of lithium in the product phases and provide an estimate of the lithium content. The maximum uptake of lithium increases as cobalt is progressively substituted by an equimolar mixture of iron and nickel. Difference Fourier maps, calculated during Rietveld structure refinement using powder neutron diffraction data, locate the lithium cations at the 2a (0,0,0) sites within the cavities of the skutterudite framework. The intercalation of lithium results in reductions in thermal conductivity of up to 47 %, indicative of phonon glass electron crystal (PGEC) type behaviour. Charge transfer from lithium to the framework that accompanies intercalation results in a substantial decrease in electrical resistivity in lithiated phases and a more metal-like temperature dependence. The increased carrier concentration also decreases the Seebeck coefficient, with the consequence that modest increases in the figure of merit occur, despite the reduced thermal conductivity.

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Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/112594
Identification Number/DOI	10.1002/zaac.202300087
Refereed	Yes
Divisions	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > NMR (CAF) Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Xray (CAF)
Publisher	Wiley
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Funders:	Engineering and Physical Sciences Research Council	The sponsoring bodies who contributed funding for the creation of this item. Example: NERC Example: The Royal Society of Chemistry A pick list of funders may appear as you type in the funder's name in full or as an acronym. Select a correct match to complete the field or type in a new entry in full. For new entries, the full name is preferred.
Projects:	Identifying cost effective routes to optimised energy recovery for the fuel economy of vehicles Funded by: Engineering and Physical Sciences Research Council (EP/K019767/1 - £317,850) Local Lead (PI): Anthony Powell Project Lead: Anthony V Powell 1 October 2013 - 30 September 2016	Click Add to select your project (received at Reading) from an autocomplete list.

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Date Deposited:	19 Jul 2023 11:47	Date item deposited into CentAUR
Last Modified:	09 Jun 2024 08:02	Date item last modified

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