Lithium insertion/deinsertion mechanisms in the transition metal pnictides LixMPn4 View Full Text


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Article Info

DATE

2003-01

AUTHORS

L. Monconduit, F. Gillot, M-L. Doublet, F. Lemoigno

ABSTRACT

This paper presents a combined experimental and computational study of the electrochemical reactivity of the ternary transition metal pnictides LixMPn4 (M=Ti, V; Pn=P, As) towards Li. These materials show high specific capacities (500very promising as negative electrode material in Li-ion battery. The high reversible charge/discharge process is associated with a destruction/recovering of the long-range cubic order. On the basis of electronic structure calculations we rationalize this mechanism by means of the contraction/elongation of the M-Pn bonds of the strongly bonded Mpn4 tetrahedra. More... »

PAGES

56-63

Journal

TITLE

Ionics

ISSUE

1-2

VOLUME

9

Author Affiliations

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf02376537

DOI

http://dx.doi.org/10.1007/bf02376537

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1048419668


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