Journal Article

IMPULSE-2026-00058

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Boosting the Lithium-Ion Conductivity in Li$_{7}$TaP$_{4}$nospec by Aliovalent Li versus Ta Substitution by Three Orders of Magnitude

Merk, S. ; Kollmannsberger, S. ; Zeitz, S. ; Baran, V. ; Senyshyn, A.MLZ* ; Fässler, T. F. (Corresponding author)

2025
American Chemical Society Washington, DC

Please use a persistent id in citations: doi:10.1021/acs.inorgchem.5c02167

Abstract: Lithium-ion conductors are one of the key features of all-solid-state lithium-ion batteries. To modify their properties and enable their implementation in high-performance devices, an understanding of the relationship between the crystal structure and the transport properties of the mobile species is important. Lithium phosphidotetrelates and -trielates are classes of lithium-ion conductors reaching ionic conductivities of up to 4.5 × 10–3 cm–1 at room temperature for ω-Li9GaP4. Here, we present the new lithium phosphidotantalate Li7TaP4, and the aliovalent substitution of Ta by Li atoms, which leads to a partial filling of octahedral voids in the structure of Li7TaP4. As a result, the lithium-ion conductivity of Li7TaP4 (1.3 × 10–7 S cm–1) increases by 3 orders of magnitude to 3.7 × 10–4 S cm–1 in Li9.5Ta0.5P4. Li7TaP4 and Li9.5Ta0.5P4 crystallizing in the cubic space groups Pa3̅ and Fm3̅m, respectively, show a close structural relationship. The structure-property relationship is highlighted and compared with the isotypic tetrel element analogues.

Keyword(s): Energy (1st) ; Chemistry (2nd)

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Contributing Institute(s):

1. SPODI (SPODI)

Experiment(s):

1. No specific instrument

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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