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Structural evolutio...
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Munoz-Garcia, Ana BelenUniversita Degli Studi Di Napoli Federico Ii,University of Naples Federico II
(författare)
Structural evolution of disordered LiCo(1/3)Fe(1/3)Mn(1/3)PO(4)in lithium batteries uncovered
- Artikel/kapitelEngelska2020
Förlag, utgivningsår, omfång ...
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2020
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Royal Society of Chemistry (RSC),2020
Nummerbeteckningar
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LIBRIS-ID:oai:research.chalmers.se:dfb3a4e9-4496-4ce8-9d47-63bb68131b27
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https://research.chalmers.se/publication/519724URI
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https://doi.org/10.1039/d0ta05350cDOI
Kompletterande språkuppgifter
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Språk:engelska
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Sammanfattning på:engelska
Ingår i deldatabas
Klassifikation
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Ämneskategori:art swepub-publicationtype
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Ämneskategori:ref swepub-contenttype
Anmärkningar
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In this study we address the Li-ion de-insertion/insertion mechanisms from/into the lattice of the mixed olivine LiCo1/3Fe1/3Mn1/3PO4(LCFMP). This mechanism is driven by a subtle interplay of structural, electronic and thermodynamic features. We aim at dissecting this complex landscape that is tightly connected to the long-term electrochemical performance of this material as a positive electrode in lithium-ion cells. To this end, we report advanced structural characterization, based onex situsynchrotronradiation diffraction on samples at different lithium contents. We couple this analysis with first-principles simulations, for a directvis-a-viscomparison. Our results show that (1) the mixing of the three transition-metal (TM) cations in the olivine lattice leads to a solid solution, providing the olivine lattice with the necessary flexibility to retain its single-phase structure during cell operation; (2) the electronic features of the three TMs are responsible for the observed electrochemical performance; (3) the de-lithiation of the olivine lattice is a thermodynamically driven process. Last but not least, our integrated experimental and theoretical results reveal the subtle features behind the formation of antisite defects that selectively involve Li-Co couples. In conclusion, our study provides the necessary scientific foundations to understand the structure-property-function relationships in LCFMP olivines, paving the way for further development and optimization of this material for application in Li-ion batteries.
Ämnesord och genrebeteckningar
Biuppslag (personer, institutioner, konferenser, titlar ...)
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Tirri, BernardinoUniversita Degli Studi Di Napoli Federico Ii,University of Naples Federico II
(författare)
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Capone, IsaacUniversity Of Oxford
(författare)
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Matic, Aleksandar,1968Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)matic
(författare)
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Pavone, MicheleUniversita Degli Studi Di Napoli Federico Ii,University of Naples Federico II
(författare)
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Brutti, SergioUniversita degli Studi di Roma la Sapienza,Sapienza University of Rome
(författare)
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Universita Degli Studi Di Napoli Federico IiUniversity Of Oxford
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Journal of Materials Chemistry A: Royal Society of Chemistry (RSC)8:37, s. 19641-196532050-74962050-7488
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